Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
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Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation EquilibriapH-dependent transient conformational states control optical properties in cyan fluorescent proteinEffects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.Recent development and application of constant pH molecular dynamicsProtocols utilizing constant pH molecular dynamics to compute pH-dependent binding free energiesConstant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.Computation of pH-dependent binding free energies.Multiscale methods for computational RNA enzymology.Molecular modeling of nucleic Acid structure: electrostatics and solvation.Uncovering pH-dependent transient states of proteins with buried ionizable residues.Biasing Potential Replica Exchange Multisite λ-Dynamics for Efficient Free Energy Calculations.Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.Constant pH Molecular Dynamics Reveals How Proton Release Drives the Conformational Transition of a Transmembrane Efflux Pump.Fast coarse-grained model for RNA titration.
P2860
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P2860
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@ast
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@en
type
label
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@ast
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@en
prefLabel
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@ast
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@en
P2093
P2860
P356
P1476
Towards Accurate Prediction of Protonation Equilibrium of Nucleic Acids.
@en
P2093
Charles L Brooks
Garrett B Goh
Jennifer L Knight
P2860
P304
P356
10.1021/JZ400078D
P577
2013-02-12T00:00:00Z