Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
about
Funnel metadynamics as accurate binding free-energy methodExploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics.Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potentialMapping transiently formed and sparsely populated conformations on a complex energy landscape.Systematic exploration of multiple drug binding sites.The bioactive protein-ligand conformation of GluN2C-selective positive allosteric modulators bound to the NMDA receptor.Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling.Mobility-based prediction of hydration structures of protein surfaces.Efficient Bayesian estimation of Markov model transition matrices with given stationary distribution.re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-AccelerationThe interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide
P2860
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P2860
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@ast
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@en
type
label
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@ast
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@en
prefLabel
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@ast
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@en
P2093
P2860
P356
P1476
Locating binding poses in protein-ligand systems using reconnaissance metadynamics.
@en
P2093
Gareth A Tribello
Michele Parrinello
Pär Söderhjelm
P2860
P304
P356
10.1073/PNAS.1201940109
P407
P577
2012-03-21T00:00:00Z