Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
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Ensemble generation and the influence of protein flexibility on geometric tunnel prediction in cytochrome P450 enzymesP-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscapeNecessity of capillary modes in a minimal model of nanoscale hydrophobic solvationStructure of the ordered hydration of amino acids in proteins: analysis of crystal structures.Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equationTHz time scale structural rearrangements and binding modes in lysozyme-ligand interactionsMechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase.Pathways to dewetting in hydrophobic confinement.Role of water and steric constraints in the kinetics of cavity-ligand unbindingA self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.How hydrophobic drying forces impact the kinetics of molecular recognition.Two Relations to Estimate Membrane Permeability Using MilestoningOn the role of water density fluctuations in the inhibition of a proton channelHeterogeneous Hydration of p53/MDM2 Complex.Biomolecular hydration dynamics: a jump model perspective.Role of water in protein folding, oligomerization, amyloidosis and miniprotein.Advances in free-energy-based simulations of protein folding and ligand binding.Molecular Shape and the Hydrophobic Effect.Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations.How Water's Properties Are Encoded in Its Molecular Structure and Energies.How wet should be the reaction coordinate for ligand unbinding?The hydrophobic effect, and fluctuations: The long and the short of it.Structured water molecules in the binding site of bromodomains can be displaced by cosolvent.Binding Thermodynamics and Kinetics Calculations Using Chemical Host and Guest: A Comprehensive Picture of Molecular Recognition.Hydrophobicity of proteins and nanostructured solutes is governed by topographical and chemical context.Factors governing the behaviour of aqueous methane in narrow pores.Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model.Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors.Communication: Resonance reaction in diffusion-influenced bimolecular reactions.Putting water on a lattice: the importance of long wavelength density fluctuations in theories of hydrophobic and interfacial phenomenaComputational Approaches for Studying Drug Binding Kinetics
P2860
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P2860
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
description
2013 nî lūn-bûn
@nan
2013 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հունվարին հրատարակված գիտական հոդված
@hy
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
name
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@ast
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@en
type
label
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@ast
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@en
prefLabel
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@ast
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@en
P2093
P2860
P356
P1476
Solvent fluctuations in hydrophobic cavity-ligand binding kinetics.
@en
P2093
Joachim Dzubiella
Peter Michael Kekenes-Huskey
Piotr Setny
Riccardo Baron
P2860
P304
P356
10.1073/PNAS.1221231110
P407
P577
2013-01-07T00:00:00Z