Keywords: متادینامیک; Molecular dynamics; Free energy; Biased sampling; Metadynamics; Symbolic; C++;
مقالات ISI متادینامیک (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: متادینامیک; Vanadium redox flow battery; Force field molecular dynamics; Metadynamics; Electrolyte additive screening;
Keywords: متادینامیک; Binding affinity; Polymeric film; Adsorption; Molecular simulation; Metadynamics;
Keywords: متادینامیک; Proton transfer; Ketyl radical anion; First principles simulations; Metadynamics; Free energy barrier;
Keywords: متادینامیک; Measles virus nucleoprotein; Intrinsically disordered protein; Coupled folding and binding; Molecular dynamics; Metadynamics; Free energy surface
Keywords: متادینامیک; Enhanced sampling; Molecular dynamics; Replica-exchange molecular dynamics; Metadynamics; Generalized simulated annealing; Cellulosome;
Keywords: متادینامیک; 5-HT2a; 5-hydroxytryptamine receptor, type 2a; ABMD; adiabatic bias molecular dynamics; AMBER; assisted model building with energy refinement program; BPTI; bovine pancreatic trypsin inhibitor; COX; cyclooxygenase; CPU; central processing unit; CV; collec
Well-Tempered MetaDynamics based method to evaluate universal peptidomimetics
Keywords: متادینامیک; Minimalist mimics; Universal mimics; Peptidomimetics; Metadynamics; Well-tempered metadynamics;
Elucidation of the orientation of selected drugs with 2-hydroxylpropyl-β-cyclodextrin using 2D-NMR spectroscopy and molecular modeling
Keywords: متادینامیک; Hydroxyl-propyl Ã-cyclodextrin; 1HNMR spectroscopy; 2D-NMR ROESY; Molecular-modeling technique; Molecular dynamic simulations; Molecular docking; Metadynamics;
A metadynamic approach to understand the recognition mechanism of the histone H3 tail with the ATRXADD domain
Keywords: متادینامیک; ADD domain of ATRX; Methylated histone H3; Molecular dynamics; Metadynamics; Free energy landscape; Recognition mechanism;
Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations
Keywords: متادینامیک; Local anesthetics; Lipid membranes; Free energy landscape; Metadynamics; Expanded ensemble; Molecular dynamics;
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
Keywords: متادینامیک; Metadynamics; Molecular dynamics; Density functional theory; Zeolite ZSM-5; Catalysis; Alkene adsorption;
Simulations of flow induced structural transition of the β-switch region of glycoprotein Ibα
Keywords: متادینامیک; Glycoprotein Ibα; Protein conformational transition; Metadynamics; Free energy landscape; Molecular dynamics;
A metadynamics study of the fcc-bcc phase transition in Xenon at high pressure and temperature
Keywords: متادینامیک; Metadynamics; Buckingham potential; Dynamical stability; Solid-solid phase transition;
PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts
Keywords: متادینامیک; Graphical user interface; VMD; PLUMED; Molecular dynamics; Collective variables; Metadynamics;
Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations
Keywords: متادینامیک; Midspan arginine; Molecular dynamics; Metadynamics; Transmembrane; Membrane simulation; Snorkeling;
Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation
Keywords: متادینامیک; Smoothened receptor; Molecular dynamics simulation; Metadynamics; Free energy calculation; GPCR;
Multi-replica molecular dynamics modeling
Keywords: متادینامیک; Multi-replicas; Molecular dynamics; Particle dynamics; Nudged elastic band method; Path integral molecular dynamics; Replica exchange method; Metadynamics;
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations
Keywords: متادینامیک; Metadynamics; Bias exchange; VMD; PLUMED; Molecular dynamics simulation; Thermodynamics; Kinetics
First-principles molecular dynamics study on the atomistic behavior of His503 in bovine cytochrome c oxidase
Keywords: متادینامیک; Cytochrome c oxidase; Histidine; Redox-controlled proton-transfer-coupled rotation; First-principles molecular dynamics; Density functional theory; Metadynamics;
Modelling of β-d-glucopyranose ring distortion in different force fields: a metadynamics study
Keywords: متادینامیک; Force field; Pyranose ring distortion; Metadynamics; Free energy; Molecular dynamics simulation
Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosides
Keywords: متادینامیک; Saccharide conformation; Gauche effect; C-5–C-6 rotamers; Free energy; Metadynamics; glycam
Exploring the Gating Mechanism in the ClC Chloride Channel via Metadynamics
Keywords: متادینامیک; WT, wild-type; st-ClC, Salmonella serovar typhimurium chloride channel; FES, free energy surface; CV, collective variableschloride translocation; ClC channel; gating; molecular dynamics; metadynamics
Reaction of surface hydroxyl groups with VO4H3 on anatase surfaces
Keywords: متادینامیک; Anatase; Metadynamics; Molecular dynamics; MSINDO; Titanium dioxide; Vanadia-titania catalysts;