MOLECULAR-DYNAMICS SIMULATIONS

Label

• MOLECULAR-DYNAMICS SIMULATIONS (literal)

Membro di

• Parole chiave di "Topologically based multipolar reconstruction of electrostatic interactions in multiscale simulations of proteins" (Insieme di parole chiave)
• Parole chiave di "Explanation of the stability of thermophilic proteins based on unique micromorphology" (Insieme di parole chiave)
• Parole chiave di "Polarization effects and charge transfer in the KcsA potassium channel" (Insieme di parole chiave)
• Parole chiave di "Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics" (Insieme di parole chiave)
• Keywords of "Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance" (Insieme di parole chiave)
• Parole chiave di "Protein accumulation in the endoplasmic reticulum as a non-equilibrium phase transition" (Insieme di parole chiave)
• Parole chiave di "Dissociation of minor groove binders from DNA: insights from metadynamics simulations" (Insieme di parole chiave)
• Parole chiave di "Short-range structure of a GM3 ganglioside membrane: Comparison between experimental WAXS and computer simulation results" (Insieme di parole chiave)
• Parole chiave di "DNA Closed Nanostructures: A Structural and Monte Carlo Simulation Study" (Insieme di parole chiave)
• Parole chiave di "Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects" (Insieme di parole chiave)
• Keywords of "Supercoiling and Local Denaturation of Plasmids with a Minimalist DNA Model" (Insieme di parole chiave)
• Parole chiave di "Computational study of the phosphoryl transfer catalyzed by a cyclin-dependent kinase" (Insieme di parole chiave)
• Parole chiave di "Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity" (Insieme di parole chiave)
• Parole chiave di "Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field" (Insieme di parole chiave)
• Keywords of "Laser ablation of metals by femtosecond pulses: Theoretical and experimental study" (Insieme di parole chiave)
• Parole chiave di "Structure and thermal stability of AgCu chiral nanoparticles" (Insieme di parole chiave)
• Parole chiave di "Uncovering the topology of configuration space networks" (Insieme di parole chiave)
• Parole chiave di "Structure-function relationship in a variant hemoglobin: A combined computational-experimental approach" (Insieme di parole chiave)
• Keywords of "Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure" (Insieme di parole chiave)
• Parole chiave di "Water hydrogen bond analysis on hydrophilic and hydrophobic biomolecule sites" (Insieme di parole chiave)
• Parole chiave di "Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila" (Insieme di parole chiave)
• Keywords of "Dielectric scaling in polyelectrolyte solutions with different solvent quality in the dilute concentration regime" (Insieme di parole chiave)
• Parole chiave di "Target-related applications of first principles quantum chemical methods in drug design" (Insieme di parole chiave)
• Parole chiave di "Fingerprints of amorphous icelike behavior in the vibrational density of states of protein hydration water" (Insieme di parole chiave)
• Keywords of "Physical Insights into Permeation of and Resistance to Antibiotics in Bacteria" (Insieme di parole chiave)
• Keywords of "Interfacial water on Cl- and H-terminated Si(111) surfaces from first-principles calculations" (Insieme di parole chiave)
• Parole chiave di "On the nature of the reaction intermediate in the HIV-1 protease: a quantum chemical study" (Insieme di parole chiave)
• Parole chiave di "Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP12-18 and IAPP21-27 peptides" (Insieme di parole chiave)
• Keywords of "Structural behavior of highly concentrated hyaluronan" (Insieme di parole chiave)
• Keywords of "On the assumptions underlying milestoning" (Insieme di parole chiave)
• Parole chiave di "ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent" (Insieme di parole chiave)
• Parole chiave di "Multiscale Modeling of Proteins" (Insieme di parole chiave)
• Keywords of "Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: An x-ray and computational study of 2-methoxyethylammonium nitrate" (Insieme di parole chiave)
• Keywords of "Structure and Raman spectrum of clavulanic acid in aqueous solution" (Insieme di parole chiave)

Value

• MOLECULAR-DYNAMICS SIMULATIONS (literal)

Incoming links:

Ha membro

• Keywords of "On the assumptions underlying milestoning" (Insieme di parole chiave)
• Parole chiave di "Structure-function relationship in a variant hemoglobin: A combined computational-experimental approach" (Insieme di parole chiave)
• Parole chiave di "Dissociation of minor groove binders from DNA: insights from metadynamics simulations" (Insieme di parole chiave)
• Parole chiave di "Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP12-18 and IAPP21-27 peptides" (Insieme di parole chiave)
• Keywords of "Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure" (Insieme di parole chiave)
• Parole chiave di "Target-related applications of first principles quantum chemical methods in drug design" (Insieme di parole chiave)
• Parole chiave di "Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity" (Insieme di parole chiave)
• Parole chiave di "Protein accumulation in the endoplasmic reticulum as a non-equilibrium phase transition" (Insieme di parole chiave)
• Keywords of "Structural behavior of highly concentrated hyaluronan" (Insieme di parole chiave)
• Parole chiave di "Polarization effects and charge transfer in the KcsA potassium channel" (Insieme di parole chiave)
• Parole chiave di "Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field" (Insieme di parole chiave)
• Parole chiave di "DNA Closed Nanostructures: A Structural and Monte Carlo Simulation Study" (Insieme di parole chiave)
• Parole chiave di "Computational study of the phosphoryl transfer catalyzed by a cyclin-dependent kinase" (Insieme di parole chiave)
• Keywords of "Structure and Raman spectrum of clavulanic acid in aqueous solution" (Insieme di parole chiave)
• Parole chiave di "Structure and thermal stability of AgCu chiral nanoparticles" (Insieme di parole chiave)
• Keywords of "Laser ablation of metals by femtosecond pulses: Theoretical and experimental study" (Insieme di parole chiave)
• Parole chiave di "Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics" (Insieme di parole chiave)
• Parole chiave di "On the nature of the reaction intermediate in the HIV-1 protease: a quantum chemical study" (Insieme di parole chiave)
• Parole chiave di "Topologically based multipolar reconstruction of electrostatic interactions in multiscale simulations of proteins" (Insieme di parole chiave)
• Parole chiave di "Explanation of the stability of thermophilic proteins based on unique micromorphology" (Insieme di parole chiave)
• Parole chiave di "Uncovering the topology of configuration space networks" (Insieme di parole chiave)
• Parole chiave di "Water hydrogen bond analysis on hydrophilic and hydrophobic biomolecule sites" (Insieme di parole chiave)
• Parole chiave di "Multiscale Modeling of Proteins" (Insieme di parole chiave)
• Parole chiave di "Short-range structure of a GM3 ganglioside membrane: Comparison between experimental WAXS and computer simulation results" (Insieme di parole chiave)
• Keywords of "Interfacial water on Cl- and H-terminated Si(111) surfaces from first-principles calculations" (Insieme di parole chiave)
• Parole chiave di "Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila" (Insieme di parole chiave)
• Keywords of "Azole-bridged diplatinum anticancer compounds. Modulating DNA flexibility to escape repair mechanism and avoid cross resistance" (Insieme di parole chiave)
• Parole chiave di "Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects" (Insieme di parole chiave)
• Parole chiave di "Fingerprints of amorphous icelike behavior in the vibrational density of states of protein hydration water" (Insieme di parole chiave)
• Keywords of "Supercoiling and Local Denaturation of Plasmids with a Minimalist DNA Model" (Insieme di parole chiave)
• Keywords of "Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: An x-ray and computational study of 2-methoxyethylammonium nitrate" (Insieme di parole chiave)
• Keywords of "Physical Insights into Permeation of and Resistance to Antibiotics in Bacteria" (Insieme di parole chiave)
• Keywords of "Dielectric scaling in polyelectrolyte solutions with different solvent quality in the dilute concentration regime" (Insieme di parole chiave)
• Parole chiave di "ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent" (Insieme di parole chiave)