Role of water and steric constraints in the kinetics of cavity-ligand unbinding
about
Spectral gap optimization of order parameters for sampling complex molecular systemsKramers turnover: From energy diffusion to spatial diffusion using metadynamics.Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics.Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations.Mapping transiently formed and sparsely populated conformations on a complex energy landscape.Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water.How and when does an anticancer drug leave its binding site?How wet should be the reaction coordinate for ligand unbinding?The hydrophobic effect, and fluctuations: The long and the short of it.How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways.Solute particle near a nanopore: influence of size and surface properties on the solvent-mediated forces.Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations.Predicting reaction coordinates in energy landscapes with diffusion anisotropy.Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors.Biomolecular conformational changes and ligand binding: from kinetics to thermodynamics.
P2860
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P2860
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@ast
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@en
type
label
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@ast
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@en
prefLabel
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@ast
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@en
P2093
P2860
P356
P1476
Role of water and steric constraints in the kinetics of cavity-ligand unbinding
@en
P2093
Jagannath Mondal
Joseph A Morrone
Pratyush Tiwary
P2860
P304
12015-12019
P356
10.1073/PNAS.1516652112
P407
P577
2015-09-14T00:00:00Z
P5875
P698
P818
1507.02985