http://www.cnr.it/ontology/cnr/individuo/parolaChiave/58288
molecular dynamics
- Label
- molecular dynamics (literal)
- Membro di
- Keywords of "Investigating the mechanism of electron transfer to the binuclear center in Cu-heme oxidases" (Insieme di parole chiave)
- Parole chiave di "Peptide/TiO2 surface interaction in solution by ab-initio and molecular dynamics simulations" (Insieme di parole chiave)
- Parole chiave di "Evolution of nanostructures of anatase TiO2 thin films grown on (001) LaAlO3" (Insieme di parole chiave)
- Parole chiave di "NMR solution structure of viscotoxin C1 from Viscum album species Coloratum ohwi: toward a structure-function analysis of viscotoxins" (Insieme di parole chiave)
- Parole chiave di "Orientational dynamics in the isotropic phase of a calamitic liquid-crystal model" (Insieme di parole chiave)
- Keywords of "The alpha-to-beta conformational transition of Alzheimer's A beta-(1-42) peptide in aqueous media is reversible: A step by step conformational analysis suggests the location of beta conformation seeding" (Insieme di parole chiave)
- Keywords of "Structural and dynamical properties of non-ionic surfactant monolayers at water/air interfaces" (Insieme di parole chiave)
- Keywords of "Solution structure of a D,L-alternating Oligonorleucine as a Model of Double-Stranded Antiparallel beta-Helix" (Insieme di parole chiave)
- Keywords of "The alpha to beta conformational transition of Alzheimers Ab-(1-42) peptide in aqueous media is reversible: a step by step conformational analysis pinpoints the location of the beta conformation seeding" (Insieme di parole chiave)
- Parole chiave di "Conformational Q1 Q2 features of 4-(N)-squalenoylgemcitabine in solution: a combined NMR and molecular dynamics investigation" (Insieme di parole chiave)
- Keywords of "Computational study of conformational and chiroptical properties of (2R,3S,4R)-(+)-3,3 ',4,4 ',7-flavanpentol," (Insieme di parole chiave)
- Keywords of "Ionic Peptide Aggregation: Exploration of Conformational Dynamics in Aqueous Solution by Computational Techniques." (Insieme di parole chiave)
- Parole chiave di "\"Hot\" Surface Activation of Molecular Complexes: Insight from Modeling Studies" (Insieme di parole chiave)
- Parole chiave di "Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago scutellata): Solution structure and analysis of self-association behavior" (Insieme di parole chiave)
- Keywords of "Experimental and Theoretical Structural Characterization of free volume in Hyflon AD glassy perfluoropolymers" (Insieme di parole chiave)
- Keywords of "Evaluation of a grid based molecular dynamics approach for polypeptide simulations" (Insieme di parole chiave)
- Parole chiave di "CVD precursors for transition metal oxide nanostructures: Molecular properties, surface behavior and temperature effects" (Insieme di parole chiave)
- Parole chiave di "Molecular investigation of water solubility and structural properties of pure and modified Pebax models" (Insieme di parole chiave)
- Keywords of "Peptides targeting chemokine receptor CXCR4: Structural behavior and biological binding studies" (Insieme di parole chiave)
- Parole chiave di "Probing the structure of iron at extreme conditions by X-ray absorption near-edge structure calculations" (Insieme di parole chiave)
- Parole chiave di "Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties" (Insieme di parole chiave)
- Parole chiave di "Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study" (Insieme di parole chiave)
- Parole chiave di "Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model" (Insieme di parole chiave)
- Parole chiave di "Coarse-grained modeling of protein unspecifically bound to DNA" (Insieme di parole chiave)
- Parole chiave di "Computational analysis of Maltose Binding Protein translocation" (Insieme di parole chiave)
- Keywords of "Molecular recognition of naringin by polymeric membranes entrapping" (Insieme di parole chiave)
- Parole chiave di "Toward the supramolecular structure of collagen: A molecular dynamics approach" (Insieme di parole chiave)
- Keywords of "Molecular Dynamics Simulations of Collagen-like Peptide Adsorption on Titanium-Based Material Surfaces." (Insieme di parole chiave)
- Keywords of "How the reorganization free energy affects the reduction potential of structurally homologous cytochromes" (Insieme di parole chiave)
- Keywords of "The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase." (Insieme di parole chiave)
- Keywords of "Carnosine Inhibits A beta 42 Aggregation by Perturbing the H-Bond Network in and around the Central Hydrophobic Cluster" (Insieme di parole chiave)
- Keywords of "Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: implications for integrin-mediated antiseptic function." (Insieme di parole chiave)
- Parole chiave di "Implementation of surface hopping molecular dynamics using semiempirical methods" (Insieme di parole chiave)
- Parole chiave di "Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S3 and S3' subsites in the interaction with a phosphonate inhibitor" (Insieme di parole chiave)
- Parole chiave di "Crystal structure of the PPAR-gamma ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic pocket could be exploited for drug design" (Insieme di parole chiave)
- Parole chiave di "Temperature dependence of de Gennes narrowing and transport properties of liquid rubidium: Experimental and simulation results" (Insieme di parole chiave)
- Parole chiave di "Synthesis and characteriaztion of novel zirconium(iv) derivatives containing the bis-amido ligand SiMe2(NRR?)2" (Insieme di parole chiave)
- Parole chiave di "RAD16II Beta-Sheet Filaments onto Titanium Dioxide: Dynamics and Adsorption Properties." (Insieme di parole chiave)
- Keywords of "Solution structure, dimerization, and dynamics of a lipophylic alpha/3-10-helical, C-alpha-methylated peptide. Implications for folding of membrane proteins" (Insieme di parole chiave)
- Keywords of "Theoretical determination of the microstructure of Cs covering of Mo in negative ion sources for nuclear fusion applications" (Insieme di parole chiave)
- Keywords of "Atomistic-Level Portrayal of Drug-DNA Interplay: A History of Courtships and Meetings Revealed by Molecular Simulations" (Insieme di parole chiave)
- Keywords of "Dynamical phenomena in fast sliding nanotube models" (Insieme di parole chiave)
- Keywords of "A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins" (Insieme di parole chiave)
- Keywords of "Numerical Analysis of Nonionic Surfactant Monolayers at Water/Air Interfaces" (Insieme di parole chiave)
- Keywords of "The Conundrum of the High-Affinity NGF Binding Site Formation Unveiled?" (Insieme di parole chiave)
- Keywords of "Hard spheres: crystallization and glass formation" (Insieme di parole chiave)
- Parole chiave di "Molecular Dynamics Studies on Fundamental Molecular Surface Processes" (Insieme di parole chiave)
- Parole chiave di "Adsorption of Ionic Peptides on Inorganic Supports" (Insieme di parole chiave)
- Parole chiave di "Structural properties and dynamics of C12E5 molecules adsorbed at water/air interfaces: A molecular dynamic study" (Insieme di parole chiave)
- Parole chiave di "Understanding the structural and binding properties of collagen: A theoretical perspective" (Insieme di parole chiave)
- Parole chiave di "Growth and energetic stability of AgNi core-shell clusters" (Insieme di parole chiave)
- Keywords of "The role of loop ZA and Pro371 in the function of yeast Gcn5p bromodomain revealed through molecular dynamics and experiment." (Insieme di parole chiave)
- Parole chiave di "Insight into a Novel p53 Single Point Mutation (G389E) by Molecular Dynamics Simulations" (Insieme di parole chiave)
- Parole chiave di "Exploring Binding Properties of Agonists Interacting with a delta-Opioid Receptor." (Insieme di parole chiave)
- Parole chiave di "HMGB1-Carbenoxolone Interactions: Dynamics Insights from Combined Nuclear Magnetic Resonance and Molecular Dynamics" (Insieme di parole chiave)
- Keywords of "Molecular modeling of p-chlorophenoxyacetic acid binding to the ClC-0 channel." (Insieme di parole chiave)
- Parole chiave di "Collective and single particle diffusion on surfaces" (Insieme di parole chiave)
- Parole chiave di "Environmental effects on the spectroscopic properties of gallic acid: A combined classical and quantum mechanical study" (Insieme di parole chiave)
- Keywords of "Molecular Beam Rotational Spectrum of Cyclobutanone-Trifluoromethane: Nature of Weak CH···O=C and CH···F Hydrogen Bonds" (Insieme di parole chiave)
- Keywords of "Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory" (Insieme di parole chiave)
- Keywords of "Structural analysis of protein Z gene variants in patients with foetal losses" (Insieme di parole chiave)
- Keywords of "Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution" (Insieme di parole chiave)
- Keywords of "Crystal structure of the Wild-Type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic machanism" (Insieme di parole chiave)
- Parole chiave di "Theoretical X-ray absorption near-edge structure signatures of solid and liquid phases of iron at extreme conditions" (Insieme di parole chiave)
- Keywords of "Synthesis of amino- and amido-aluminium derivatives and investigation of their dynamics in solution" (Insieme di parole chiave)
- Value
- molecular dynamics (literal)
Incoming links:
- Ha membro
- Keywords of "Molecular recognition of naringin by polymeric membranes entrapping" (Insieme di parole chiave)
- Keywords of "Ionic Peptide Aggregation: Exploration of Conformational Dynamics in Aqueous Solution by Computational Techniques." (Insieme di parole chiave)
- Parole chiave di "NMR solution structure of viscotoxin C1 from Viscum album species Coloratum ohwi: toward a structure-function analysis of viscotoxins" (Insieme di parole chiave)
- Parole chiave di "Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago scutellata): Solution structure and analysis of self-association behavior" (Insieme di parole chiave)
- Keywords of "Molecular Beam Rotational Spectrum of Cyclobutanone-Trifluoromethane: Nature of Weak CH···O=C and CH···F Hydrogen Bonds" (Insieme di parole chiave)
- Parole chiave di "RAD16II Beta-Sheet Filaments onto Titanium Dioxide: Dynamics and Adsorption Properties." (Insieme di parole chiave)
- Parole chiave di "Peptide/TiO2 surface interaction in solution by ab-initio and molecular dynamics simulations" (Insieme di parole chiave)
- Keywords of "A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins" (Insieme di parole chiave)
- Keywords of "Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution" (Insieme di parole chiave)
- Keywords of "Molecular Dynamics Simulations of Collagen-like Peptide Adsorption on Titanium-Based Material Surfaces." (Insieme di parole chiave)
- Parole chiave di "Collective and single particle diffusion on surfaces" (Insieme di parole chiave)
- Parole chiave di "Insight into a Novel p53 Single Point Mutation (G389E) by Molecular Dynamics Simulations" (Insieme di parole chiave)
- Keywords of "The role of loop ZA and Pro371 in the function of yeast Gcn5p bromodomain revealed through molecular dynamics and experiment." (Insieme di parole chiave)
- Keywords of "Computational study of conformational and chiroptical properties of (2R,3S,4R)-(+)-3,3 ',4,4 ',7-flavanpentol," (Insieme di parole chiave)
- Parole chiave di "Growth and energetic stability of AgNi core-shell clusters" (Insieme di parole chiave)
- Keywords of "Peptides targeting chemokine receptor CXCR4: Structural behavior and biological binding studies" (Insieme di parole chiave)
- Parole chiave di "Toward the supramolecular structure of collagen: A molecular dynamics approach" (Insieme di parole chiave)
- Parole chiave di "Environmental effects on the spectroscopic properties of gallic acid: A combined classical and quantum mechanical study" (Insieme di parole chiave)
- Parole chiave di "Understanding the structural and binding properties of collagen: A theoretical perspective" (Insieme di parole chiave)
- Keywords of "How the reorganization free energy affects the reduction potential of structurally homologous cytochromes" (Insieme di parole chiave)
- Keywords of "The Conundrum of the High-Affinity NGF Binding Site Formation Unveiled?" (Insieme di parole chiave)
- Keywords of "Experimental and Theoretical Structural Characterization of free volume in Hyflon AD glassy perfluoropolymers" (Insieme di parole chiave)
- Parole chiave di "\"Hot\" Surface Activation of Molecular Complexes: Insight from Modeling Studies" (Insieme di parole chiave)
- Parole chiave di "Theoretical X-ray absorption near-edge structure signatures of solid and liquid phases of iron at extreme conditions" (Insieme di parole chiave)
- Parole chiave di "Probing the structure of iron at extreme conditions by X-ray absorption near-edge structure calculations" (Insieme di parole chiave)
- Keywords of "Structural analysis of protein Z gene variants in patients with foetal losses" (Insieme di parole chiave)
- Parole chiave di "Exploring Binding Properties of Agonists Interacting with a delta-Opioid Receptor." (Insieme di parole chiave)
- Keywords of "Solution structure, dimerization, and dynamics of a lipophylic alpha/3-10-helical, C-alpha-methylated peptide. Implications for folding of membrane proteins" (Insieme di parole chiave)
- Keywords of "Structural and dynamical properties of non-ionic surfactant monolayers at water/air interfaces" (Insieme di parole chiave)
- Keywords of "Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory" (Insieme di parole chiave)
- Keywords of "Dynamical phenomena in fast sliding nanotube models" (Insieme di parole chiave)
- Parole chiave di "Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study" (Insieme di parole chiave)
- Parole chiave di "Implementation of surface hopping molecular dynamics using semiempirical methods" (Insieme di parole chiave)
- Keywords of "Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: implications for integrin-mediated antiseptic function." (Insieme di parole chiave)
- Parole chiave di "Conformational Q1 Q2 features of 4-(N)-squalenoylgemcitabine in solution: a combined NMR and molecular dynamics investigation" (Insieme di parole chiave)
- Keywords of "Carnosine Inhibits A beta 42 Aggregation by Perturbing the H-Bond Network in and around the Central Hydrophobic Cluster" (Insieme di parole chiave)
- Parole chiave di "Computational analysis of Maltose Binding Protein translocation" (Insieme di parole chiave)
- Parole chiave di "CVD precursors for transition metal oxide nanostructures: Molecular properties, surface behavior and temperature effects" (Insieme di parole chiave)
- Parole chiave di "Evolution of nanostructures of anatase TiO2 thin films grown on (001) LaAlO3" (Insieme di parole chiave)
- Parole chiave di "Coarse-grained modeling of protein unspecifically bound to DNA" (Insieme di parole chiave)
- Keywords of "Investigating the mechanism of electron transfer to the binuclear center in Cu-heme oxidases" (Insieme di parole chiave)
- Keywords of "Crystal structure of the Wild-Type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic machanism" (Insieme di parole chiave)
- Keywords of "The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase." (Insieme di parole chiave)
- Parole chiave di "Molecular investigation of water solubility and structural properties of pure and modified Pebax models" (Insieme di parole chiave)
- Keywords of "Hard spheres: crystallization and glass formation" (Insieme di parole chiave)
- Keywords of "Atomistic-Level Portrayal of Drug-DNA Interplay: A History of Courtships and Meetings Revealed by Molecular Simulations" (Insieme di parole chiave)
- Keywords of "The alpha-to-beta conformational transition of Alzheimer's A beta-(1-42) peptide in aqueous media is reversible: A step by step conformational analysis suggests the location of beta conformation seeding" (Insieme di parole chiave)
- Parole chiave di "Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties" (Insieme di parole chiave)
- Keywords of "Molecular modeling of p-chlorophenoxyacetic acid binding to the ClC-0 channel." (Insieme di parole chiave)
- Keywords of "Theoretical determination of the microstructure of Cs covering of Mo in negative ion sources for nuclear fusion applications" (Insieme di parole chiave)
- Parole chiave di "Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model" (Insieme di parole chiave)
- Keywords of "The alpha to beta conformational transition of Alzheimers Ab-(1-42) peptide in aqueous media is reversible: a step by step conformational analysis pinpoints the location of the beta conformation seeding" (Insieme di parole chiave)
- Keywords of "Evaluation of a grid based molecular dynamics approach for polypeptide simulations" (Insieme di parole chiave)
- Parole chiave di "Adsorption of Ionic Peptides on Inorganic Supports" (Insieme di parole chiave)
- Keywords of "Solution structure of a D,L-alternating Oligonorleucine as a Model of Double-Stranded Antiparallel beta-Helix" (Insieme di parole chiave)
- Parole chiave di "Molecular Dynamics Studies on Fundamental Molecular Surface Processes" (Insieme di parole chiave)
- Parole chiave di "Crystal structure of the PPAR-gamma ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic pocket could be exploited for drug design" (Insieme di parole chiave)
- Parole chiave di "Temperature dependence of de Gennes narrowing and transport properties of liquid rubidium: Experimental and simulation results" (Insieme di parole chiave)
- Parole chiave di "Orientational dynamics in the isotropic phase of a calamitic liquid-crystal model" (Insieme di parole chiave)
- Keywords of "Synthesis of amino- and amido-aluminium derivatives and investigation of their dynamics in solution" (Insieme di parole chiave)
- Parole chiave di "Synthesis and characteriaztion of novel zirconium(iv) derivatives containing the bis-amido ligand SiMe2(NRR?)2" (Insieme di parole chiave)
- Parole chiave di "Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S3 and S3' subsites in the interaction with a phosphonate inhibitor" (Insieme di parole chiave)
- Keywords of "Numerical Analysis of Nonionic Surfactant Monolayers at Water/Air Interfaces" (Insieme di parole chiave)
- Parole chiave di "Structural properties and dynamics of C12E5 molecules adsorbed at water/air interfaces: A molecular dynamic study" (Insieme di parole chiave)
- Parole chiave di "HMGB1-Carbenoxolone Interactions: Dynamics Insights from Combined Nuclear Magnetic Resonance and Molecular Dynamics" (Insieme di parole chiave)