http://www.cnr.it/ontology/cnr/individuo/modulo/ID6135
simulazioni molecolari di sistemi biologici (INT.P02.001.001)
- Type
- Label
- simulazioni molecolari di sistemi biologici (INT.P02.001.001) (literal)
- Prodotto
- Dynamic-based discovery of new allosteric ligands targeting the Hsp90 C-terminal inhibitor binding site (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- MD simulations of biomolecular machines with an eye to drug design (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Rational design of antigenic epitopes for structural vaccinology and protein targeting (Comunicazione a convegno) (Prodotto della ricerca)
- Corresponding functional dynamics across the Hsp90 family: insights from a multiscale analysis of MD simulations (Comunicazione a convegno) (Prodotto della ricerca)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Abstract/Poster in convegno) (Prodotto della ricerca)
- Investigating protein stabilization and interaction sites through molecular simulations (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody-Antigen Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First in silico discovery of allosteric inhibitors of molecular chaperones: Selection of new ligands for the C-terminal Domain of Hsp90 (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Structure-function-dynamics relationships in proteins: implications for drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Investigating protein dynamics with an eye to drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Dynamic diagnosis of familiar prion disease supports the b2-a2 loop as a universal target for interference (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Analyzing structure, dynamics and energetics to predict protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Blocking folding through chaperone inhibition: signal propagation mechanisms and ligand-based conformational dynamics for the design of new inhibitors of the Hsp90 molecular chaperon (Comunicazione a convegno) (Prodotto della ricerca)
- Structure-function-dynamics relationships in proteins: implications for drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- In silico discovery of allosteric inhibitors of molecular chaperones: Selection of new ligands for the C-terminal Domain of Hsp90 (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- The expression of GHS-R in primary neurons is dependent upon maturation stage and regional localization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Conformational dynamics and allosteric inhibition of the chaperone protein hsp90 (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full length dimer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogens (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Exploiting the Burkholderia pseudomallei Acute Phase Antigen BPSL2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 3D-QSAR-Assisted Design, Synthesis, and Evaluation of Novobiocin Analogues (Articolo in rivista) (Prodotto della ricerca)
- Protein Dynamics and Drug Design: The role of molecular simulations (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- The Five-To-Six-Coordination Transition of Ferric Human Serum Heme-Albumin Is Allosterically-Modulated by Ibuprofen and Warfarin: A Combined XAS and MD Study (Articolo in rivista) (Prodotto della ricerca)
- Molecular dynamics simulations of hsp90 with an eye to inhibitor design. (Articolo in rivista) (Prodotto della ricerca)
- A Hamiltonian replica exchange Molecular Dynamics (MD) method for the study of folding, based on the analysis of the stabilization determinants of proteins (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Rational design of antigenic epitopes for structural vaccinology and protein targeting (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Membro Editorial Board di BMC Structural Biology (Curatela) (Prodotto della ricerca)
- Two amino acid substitutions within the first external loop of CCR5 induce human immunodeficiency virus-blocking antibodies in mice and chickens (Articolo in rivista) (Prodotto della ricerca)
- Development of U11-functionalized gold nanoparticles ofr selective targeting of urokinase plasminogen activator receptor-positive breast cancer cells (Articolo in rivista) (Prodotto della ricerca)
- The role of surface energetics in the formation of protein-protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Dimerization capacities of FGF2 purified with or without heparin-affinity chromatography (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Structure-Based Strategy for Epitope Discovery in Burkholderia pseudomallei OppA Antigen (Articolo in rivista) (Prodotto della ricerca)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational studies of the structure, dynamics and native content of amyloid-like fibrils of ribonuclease A (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structure and sequence determinants of aggregation investigated with molecular dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities (Comunicazione a convegno) (Prodotto della ricerca)
- Molecular simulations of proteins involved in cancer pathways (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Combinatorial drug design targeting. A compartmentalized Hsp90 cancer network (Articolo in rivista) (Prodotto della ricerca)
- Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: A novel possible route to small-molecule regulation of cyp450s activities? (Articolo in rivista) (Prodotto della ricerca)
- Enhancement of Anti-HIV-1 Activity by Hot Spot Evolution of RANTES-Derived Peptides (Articolo in rivista) (Prodotto della ricerca)
- Studying the determinants of protein stability with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Estimating Point and Interval Frequency of Antigen-Specific CD4(+) T Cells Based on Short In Vitro Expansion and Improved Poisson Distribution Analysis (Articolo in rivista) (Prodotto della ricerca)
- Why is a protective antigen protective? (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 2 '-O-Alkyl Derivatives and 5 '-Analogues of 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside (AICAR) as Potential Hsp90 Inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Dynamics-based discovery of allosteric inhibitors: selection of new ligands for the C-terminal domain of Hsp90 (Articolo in rivista) (Prodotto della ricerca)
- CD4+ T cells against human papillomavirus-18 E7 in patients with high-grade cervical lesions associate with the absence of the virus in the cervix (Articolo in rivista) (Prodotto della ricerca)
- Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping (Articolo in rivista) (Prodotto della ricerca)
- Direct and Allosteric Inhibition of the FGF2/HSPGs/FGFR1 Ternary Complex Formation by an Antiangiogenic, Thrombospondin-1-Mimic Small Molecule (Articolo in rivista) (Prodotto della ricerca)
- Selecting sequences that fold into a defined 3D structure: a new approach for protein design based on molecular dynamics and energetics (Articolo in rivista) (Prodotto della ricerca)
- HMGB1-Carbenoxolone Interactions: Dynamics Insights from Combined Nuclear Magnetic Resonance and Molecular Dynamics (Articolo in rivista) (Prodotto della ricerca)
- Ribose 2'-hydroxyl groups stabilize RNA hairpin structures containing GCUAA pentaloop (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Structure-function-dynamics relationships in proteins: implications for drug design (Comunicazione a convegno) (Prodotto della ricerca)
- Use of Hsp90 dynamics to design C-terminal inhibitors (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Novel phage display-derived neuroblastoma-targeting peptides potentiate the effect of drug nanocarriers in preclinical settings (Articolo in rivista) (Prodotto della ricerca)
- Methioninesulfoxides on prion protein helix-3 switch on the a-fold destabilization required for conversion (Articolo in rivista) (Prodotto della ricerca)
- Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design. (Articolo in rivista) (Prodotto della ricerca)
- Molecular Recognition and Drug Design: What Can Molecular Simulations Tell Us? (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Characterization of hte T-cell epitopes of the major peach allergen pru p 3 (Articolo in rivista) (Prodotto della ricerca)
- The CD4+ T-cell epitope-binding register is a critical parameter when generating functional HLA-DR tetramers with promiscuous peptides (Articolo in rivista) (Prodotto della ricerca)
- Identification of a new scaffold for Hsp90 C-terminal inhibition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Combined targeting of perivascular and endothelial tumor celles enhances anti-tumor efficacy of liosomal chemotherapy in neuroblastoma (Articolo in rivista) (Prodotto della ricerca)
- On the substrate preference of glutaryl acylases (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A structure based pattern recognition on antibodies (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35 (Articolo in rivista) (Prodotto della ricerca)
- Exploiting antigenic diversity for vaccine design. The chlamydia artJ paradigm (Articolo in rivista) (Prodotto della ricerca)
- Swe1-Dependent tyrosine phosphorylation of Hsp90 regulates distinct facets of chaperone function (Articolo in rivista) (Prodotto della ricerca)
- Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors (Articolo in rivista) (Prodotto della ricerca)
- Anharmonicity and self-similarity of the free energy landscape of protein G (Articolo in rivista) (Prodotto della ricerca)
- Rational epitope design for protein targeting (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Engineering of alpha-conotoxin MII-derived peptides with increased selectivity for native alpha 6 beta 2*nicotinic acetylcholine receptors (Articolo in rivista) (Prodotto della ricerca)
- Molecular engineering of Rantes peptide mimetics with potent anti-HIV-1 activity (Articolo in rivista) (Prodotto della ricerca)
- Dynamic Diagnosis of Familial Prion Diseases Supports the beta 2-alpha 2 Loop as a Universal Interference Target (Articolo in rivista) (Prodotto della ricerca)
- IsoDGR-Tagged Albumin: A New v3 Selective Carrier for Nanodrug Delivery to Tumors (Articolo in rivista) (Prodotto della ricerca)
- Corresponding Functional Dynamics across the Hsp90 Chaperone Family: Insights from a Multiscale Analysis of MD Simulations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structural Determinants of the Unusual Helix Stability of a De Novo Engineered Vascular Endothelial Growth Factor (VEGF) Mimicking Peptide (Articolo in rivista) (Prodotto della ricerca)
- Dynamic structure of NGF and proNGF complexed with p75NTR: Pro-peptide effect (Articolo in rivista) (Prodotto della ricerca)
- Inactivation of TEM-1 by avibactam (NXL-104): Insights from quantum mechanics/molecular mechanics metadynamics simulations (Articolo in rivista) (Prodotto della ricerca)
- Energetic and Dynamic Aspects of the Affinity Maturation Process: Characterizing Improved Variants from the Bevacizumab Antibody with Molecular Simulations (Articolo in rivista) (Prodotto della ricerca)
- Booster Vaccinations against Cancer Are Critical in Prophylactic but Detrimental in Therapeutic Settings (Articolo in rivista) (Prodotto della ricerca)
- Peptides for immunological purposes: design, strategies and applications (Articolo in rivista) (Prodotto della ricerca)
- Development of U11-functionalized gold nanoparticles for selective targeting of urokinase plasminogen activator receptor-positive breast cancer cells (Articolo in rivista) (Prodotto della ricerca)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Comunicazione a convegno) (Prodotto della ricerca)
- Protein and lipid interactions driving molecular mechanisms of in meso crystallization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular mechanism of allosteric communication in Hsp70 revealed by MD simulations (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Exploiting conformational dynamics in drug discovery: Design of C-terminal inhibitors of Hsp90 with improved activities (Articolo in rivista) (Prodotto della ricerca)
- Investigating the dynamic aspects of drug-protein recognition through a combination of MD and NMR analyses: Implications for the development of protein-protein interaction inhibitors (Articolo in rivista) (Prodotto della ricerca)
- The molecular dynamics of assembly of the ubiquitous aortic medial amyloidal medin fragment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stabilization of the Cysteine-Rich Conotoxin MrIA by Using a 1,2,3-Triazole as a Disulfide Bond Mimetic (Articolo in rivista) (Prodotto della ricerca)
- Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Non-peptidic thrombospondin-1 mimics as fibroblast growth factor-2 inhibitors. An integrated strategy for the development of new antiangiogenic compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular dynamics simulations of proteins and peptides: From folding to drug design (Articolo in rivista) (Prodotto della ricerca)
- Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Investigating the mechanism of peptide aggregation: Insights from mixed Monte Carlo-Molecular dynamics simulations (Articolo in rivista) (Prodotto della ricerca)
- In Search of a Vaccine for Mouse Allergy: Significant Reduction of Mus m 1 Allergenicity by Structure-Guided Single-Point Mutations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors (Articolo in rivista) (Prodotto della ricerca)
- Chromogranin A binds to alpha v beta 6-integrin and promotes wound healing in mice (Articolo in rivista) (Prodotto della ricerca)
- Identification of interference targets and markers of protein aggregation via molecular simulations (Comunicazione a convegno) (Prodotto della ricerca)
- Ligand selection from the analysis of protein conformational substates: new leads targeting the N-terminal domain of Hsp90 (Articolo in rivista) (Prodotto della ricerca)
- Analyzing dynamic and energetic preorganization to study protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Inhibiting Peptide and Protein Self-Aggregation: What Can Simulations Tell Us? (Contributo in volume (capitolo o saggio)) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1201)
- A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide (Comunicazione a convegno) (Prodotto della ricerca)
- From antigen structure to epitope prediction and design: a computational biology view (Comunicazione a convegno) (Prodotto della ricerca)
- Pharmacological enhancement of alpha-glucosidase by the allosteric chaperone N-acetylcysteine (Articolo in rivista) (Prodotto della ricerca)
- Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Membro Editorial Board di BMC Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Membro Editorial Board di The Open Journal of Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Membro Editorial Board di The Open Journal of Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Human aromatase ligand recognition and allosteric regulation investigated by computational methods (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Studying Hsp90 dynamics with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Studying protein dynamics with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Codice
- INT.P02.001.001 (literal)
- Anno di chiusura previsto
- 2015-01-01T00:00:00+01:00 (literal)
- Istituto esecutore
- Abstract
- In questo modulo, l'attenzione sarà focalizzata sullo sviluppo e l'applicazione di nuovi metodi di computational prediction delle proprietà strutturali, dinamiche e di riconoscimento molecolare di peptidi e proteine. In particolare si svilupperanno metodi basati sulla combinazione ed ottimizzazione di metodi di campionamento conformazionale a bassa e ad alta risoluzione e di calcolo ad alte prestazioni.
Questo progetto si prefigge i seguenti obiettivi specifici:
1) sviluppo di metodi per la previsione del folding e misfolding di proteine
2) previsione delle superfici di binding di proteine e loro possibili siti di interazione con anticorpi e sistema MHC
3) Sviluppo di metodi basati sulla dinamica del processo di riconoscimento per il focusing dello screening di library di possibili composti ad attività farmaceutica
4) Design di nuove molecole come inibitore di specifici processi dinamici legati alla funzione di proteine coinvolte in processi patogenici. (literal)
- Nome
- simulazioni molecolari di sistemi biologici (literal)
- Descrizione
- Modulo di
- Gestore
Incoming links:
- Modulo
- Istituto esecutore di
- Gestore di
- Descrizione di
- Prodotto di
- Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full length dimer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogens (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Swe1-Dependent tyrosine phosphorylation of Hsp90 regulates distinct facets of chaperone function (Articolo in rivista) (Prodotto della ricerca)
- Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors (Articolo in rivista) (Prodotto della ricerca)
- Exploiting antigenic diversity for vaccine design. The chlamydia artJ paradigm (Articolo in rivista) (Prodotto della ricerca)
- Dynamic Diagnosis of Familial Prion Diseases Supports the beta 2-alpha 2 Loop as a Universal Interference Target (Articolo in rivista) (Prodotto della ricerca)
- Molecular engineering of Rantes peptide mimetics with potent anti-HIV-1 activity (Articolo in rivista) (Prodotto della ricerca)
- Engineering of alpha-conotoxin MII-derived peptides with increased selectivity for native alpha 6 beta 2*nicotinic acetylcholine receptors (Articolo in rivista) (Prodotto della ricerca)
- The molecular dynamics of assembly of the ubiquitous aortic medial amyloidal medin fragment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular dynamics simulations of proteins and peptides: From folding to drug design (Articolo in rivista) (Prodotto della ricerca)
- Investigating the mechanism of peptide aggregation: Insights from mixed Monte Carlo-Molecular dynamics simulations (Articolo in rivista) (Prodotto della ricerca)
- Methioninesulfoxides on prion protein helix-3 switch on the a-fold destabilization required for conversion (Articolo in rivista) (Prodotto della ricerca)
- Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design. (Articolo in rivista) (Prodotto della ricerca)
- Combined targeting of perivascular and endothelial tumor celles enhances anti-tumor efficacy of liosomal chemotherapy in neuroblastoma (Articolo in rivista) (Prodotto della ricerca)
- Characterization of hte T-cell epitopes of the major peach allergen pru p 3 (Articolo in rivista) (Prodotto della ricerca)
- The CD4+ T-cell epitope-binding register is a critical parameter when generating functional HLA-DR tetramers with promiscuous peptides (Articolo in rivista) (Prodotto della ricerca)
- Molecular Recognition and Drug Design: What Can Molecular Simulations Tell Us? (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35 (Articolo in rivista) (Prodotto della ricerca)
- On the substrate preference of glutaryl acylases (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structure and sequence determinants of aggregation investigated with molecular dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational studies of the structure, dynamics and native content of amyloid-like fibrils of ribonuclease A (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Combinatorial drug design targeting. A compartmentalized Hsp90 cancer network (Articolo in rivista) (Prodotto della ricerca)
- 2 '-O-Alkyl Derivatives and 5 '-Analogues of 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside (AICAR) as Potential Hsp90 Inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Why is a protective antigen protective? (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Selecting sequences that fold into a defined 3D structure: a new approach for protein design based on molecular dynamics and energetics (Articolo in rivista) (Prodotto della ricerca)
- Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping (Articolo in rivista) (Prodotto della ricerca)
- Dynamics-based discovery of allosteric inhibitors: selection of new ligands for the C-terminal domain of Hsp90 (Articolo in rivista) (Prodotto della ricerca)
- CD4+ T cells against human papillomavirus-18 E7 in patients with high-grade cervical lesions associate with the absence of the virus in the cervix (Articolo in rivista) (Prodotto della ricerca)
- HMGB1-Carbenoxolone Interactions: Dynamics Insights from Combined Nuclear Magnetic Resonance and Molecular Dynamics (Articolo in rivista) (Prodotto della ricerca)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Comunicazione a convegno) (Prodotto della ricerca)
- Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution (Abstract/Poster in convegno) (Prodotto della ricerca)
- First in silico discovery of allosteric inhibitors of molecular chaperones: Selection of new ligands for the C-terminal Domain of Hsp90 (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Investigating protein stabilization and interaction sites through molecular simulations (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Analyzing structure, dynamics and energetics to predict protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Structure-function-dynamics relationships in proteins: implications for drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- In silico discovery of allosteric inhibitors of molecular chaperones: Selection of new ligands for the C-terminal Domain of Hsp90 (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Blocking folding through chaperone inhibition: signal propagation mechanisms and ligand-based conformational dynamics for the design of new inhibitors of the Hsp90 molecular chaperon (Comunicazione a convegno) (Prodotto della ricerca)
- Structure-function-dynamics relationships in proteins: implications for drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Investigating protein dynamics with an eye to drug discovery (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Dynamic diagnosis of familiar prion disease supports the b2-a2 loop as a universal target for interference (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Conformational dynamics and allosteric inhibition of the chaperone protein hsp90 (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Protein Dynamics and Drug Design: The role of molecular simulations (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Membro Editorial Board di The Open Journal of Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Membro Editorial Board di BMC Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Membro Editorial Board di The Open Journal of Structural Biology (Curatela) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1501)
- Membro Editorial Board di BMC Structural Biology (Curatela) (Prodotto della ricerca)
- Non-peptidic thrombospondin-1 mimics as fibroblast growth factor-2 inhibitors. An integrated strategy for the development of new antiangiogenic compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- In Search of a Vaccine for Mouse Allergy: Significant Reduction of Mus m 1 Allergenicity by Structure-Guided Single-Point Mutations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Corresponding functional dynamics across the Hsp90 family: insights from a multiscale analysis of MD simulations (Comunicazione a convegno) (Prodotto della ricerca)
- MD simulations of biomolecular machines with an eye to drug design (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Dynamic-based discovery of new allosteric ligands targeting the Hsp90 C-terminal inhibitor binding site (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Pharmacological enhancement of alpha-glucosidase by the allosteric chaperone N-acetylcysteine (Articolo in rivista) (Prodotto della ricerca)
- Anharmonicity and self-similarity of the free energy landscape of protein G (Articolo in rivista) (Prodotto della ricerca)
- Two amino acid substitutions within the first external loop of CCR5 induce human immunodeficiency virus-blocking antibodies in mice and chickens (Articolo in rivista) (Prodotto della ricerca)
- Corresponding Functional Dynamics across the Hsp90 Chaperone Family: Insights from a Multiscale Analysis of MD Simulations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Molecular dynamics simulations of hsp90 with an eye to inhibitor design. (Articolo in rivista) (Prodotto della ricerca)
- Chromogranin A binds to alpha v beta 6-integrin and promotes wound healing in mice (Articolo in rivista) (Prodotto della ricerca)
- Ligand selection from the analysis of protein conformational substates: new leads targeting the N-terminal domain of Hsp90 (Articolo in rivista) (Prodotto della ricerca)
- Identification of interference targets and markers of protein aggregation via molecular simulations (Comunicazione a convegno) (Prodotto della ricerca)
- From antigen structure to epitope prediction and design: a computational biology view (Comunicazione a convegno) (Prodotto della ricerca)
- A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide (Comunicazione a convegno) (Prodotto della ricerca)
- Analyzing dynamic and energetic preorganization to study protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- A structure based pattern recognition on antibodies (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Structural Determinants of the Unusual Helix Stability of a De Novo Engineered Vascular Endothelial Growth Factor (VEGF) Mimicking Peptide (Articolo in rivista) (Prodotto della ricerca)
- Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Estimating Point and Interval Frequency of Antigen-Specific CD4(+) T Cells Based on Short In Vitro Expansion and Improved Poisson Distribution Analysis (Articolo in rivista) (Prodotto della ricerca)
- Direct and Allosteric Inhibition of the FGF2/HSPGs/FGFR1 Ternary Complex Formation by an Antiangiogenic, Thrombospondin-1-Mimic Small Molecule (Articolo in rivista) (Prodotto della ricerca)
- Structure-function-dynamics relationships in proteins: implications for drug design (Comunicazione a convegno) (Prodotto della ricerca)
- Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Structure-Based Strategy for Epitope Discovery in Burkholderia pseudomallei OppA Antigen (Articolo in rivista) (Prodotto della ricerca)
- A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody-Antigen Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ribose 2'-hydroxyl groups stabilize RNA hairpin structures containing GCUAA pentaloop (Abstract/Poster in atti di convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1302)
- Use of Hsp90 dynamics to design C-terminal inhibitors (Comunicazione a convegno) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1303)
- Novel phage display-derived neuroblastoma-targeting peptides potentiate the effect of drug nanocarriers in preclinical settings (Articolo in rivista) (Prodotto della ricerca)
- The expression of GHS-R in primary neurons is dependent upon maturation stage and regional localization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 3D-QSAR-Assisted Design, Synthesis, and Evaluation of Novobiocin Analogues (Articolo in rivista) (Prodotto della ricerca)
- Exploiting the Burkholderia pseudomallei Acute Phase Antigen BPSL2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A Hamiltonian replica exchange Molecular Dynamics (MD) method for the study of folding, based on the analysis of the stabilization determinants of proteins (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Rational design of antigenic epitopes for structural vaccinology and protein targeting (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Rational epitope design for protein targeting (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- IsoDGR-Tagged Albumin: A New v3 Selective Carrier for Nanodrug Delivery to Tumors (Articolo in rivista) (Prodotto della ricerca)
- Peptides for immunological purposes: design, strategies and applications (Articolo in rivista) (Prodotto della ricerca)
- Booster Vaccinations against Cancer Are Critical in Prophylactic but Detrimental in Therapeutic Settings (Articolo in rivista) (Prodotto della ricerca)
- Energetic and Dynamic Aspects of the Affinity Maturation Process: Characterizing Improved Variants from the Bevacizumab Antibody with Molecular Simulations (Articolo in rivista) (Prodotto della ricerca)
- Rational design of antigenic epitopes for structural vaccinology and protein targeting (Comunicazione a convegno) (Prodotto della ricerca)
- Molecular mechanism of allosteric communication in Hsp70 revealed by MD simulations (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- The role of surface energetics in the formation of protein-protein interactions (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Protein and lipid interactions driving molecular mechanisms of in meso crystallization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Exploiting conformational dynamics in drug discovery: Design of C-terminal inhibitors of Hsp90 with improved activities (Articolo in rivista) (Prodotto della ricerca)
- Investigating the dynamic aspects of drug-protein recognition through a combination of MD and NMR analyses: Implications for the development of protein-protein interaction inhibitors (Articolo in rivista) (Prodotto della ricerca)
- The Five-To-Six-Coordination Transition of Ferric Human Serum Heme-Albumin Is Allosterically-Modulated by Ibuprofen and Warfarin: A Combined XAS and MD Study (Articolo in rivista) (Prodotto della ricerca)
- Dimerization capacities of FGF2 purified with or without heparin-affinity chromatography (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: A novel possible route to small-molecule regulation of cyp450s activities? (Articolo in rivista) (Prodotto della ricerca)
- Studying the determinants of protein stability with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities (Comunicazione a convegno) (Prodotto della ricerca)
- Molecular simulations of proteins involved in cancer pathways (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stabilization of the Cysteine-Rich Conotoxin MrIA by Using a 1,2,3-Triazole as a Disulfide Bond Mimetic (Articolo in rivista) (Prodotto della ricerca)
- Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors (Articolo in rivista) (Prodotto della ricerca)
- Identification of a new scaffold for Hsp90 C-terminal inhibition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Inactivation of TEM-1 by avibactam (NXL-104): Insights from quantum mechanics/molecular mechanics metadynamics simulations (Articolo in rivista) (Prodotto della ricerca)
- Dynamic structure of NGF and proNGF complexed with p75NTR: Pro-peptide effect (Articolo in rivista) (Prodotto della ricerca)
- Development of U11-functionalized gold nanoparticles for selective targeting of urokinase plasminogen activator receptor-positive breast cancer cells (Articolo in rivista) (Prodotto della ricerca)
- Studying Hsp90 dynamics with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Studying protein dynamics with an eye to molecular design (Comunicazione a convegno) (Prodotto della ricerca)
- Human aromatase ligand recognition and allosteric regulation investigated by computational methods (Abstract/Poster in atti di convegno) (Prodotto della ricerca)
- Development of U11-functionalized gold nanoparticles ofr selective targeting of urokinase plasminogen activator receptor-positive breast cancer cells (Articolo in rivista) (Prodotto della ricerca)
- Enhancement of Anti-HIV-1 Activity by Hot Spot Evolution of RANTES-Derived Peptides (Articolo in rivista) (Prodotto della ricerca)
- Inhibiting Peptide and Protein Self-Aggregation: What Can Simulations Tell Us? (Contributo in volume (capitolo o saggio)) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1201)
- http://www.cnr.it/ontology/cnr/individuo/prodotto/ID192824
