about
Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approachA chemogenomics view on protein-ligand spaces.Structural insights into Resveratrol's antagonist and partial agonist actions on estrogen receptor alpha.A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.Combining molecular docking and molecular dynamics to predict the binding modes of flavonoid derivatives with the neuraminidase of the 2009 H1N1 influenza A virusThe HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15N chemical shifts.Electrostatics in proteins and protein-ligand complexes.Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site.Improved ligand-protein binding affinity predictions using multiple binding modes.Refined models of New Delhi metallo-beta-lactamase-1 with inhibitors: an QM/MM modeling study.Insights from QM/MM Modeling the 3D Structure of the 2009 H1N1 Influenza A Virus Neuraminidase and Its Binding Interactions with Antiviral Drugs.Characterization of Ligand Binding to GPCRs Through Computational Methods.
P2860
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P2860
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Predicting binding modes from free energy calculations.
@en
Predicting binding modes from free energy calculations.
@nl
type
label
Predicting binding modes from free energy calculations.
@en
Predicting binding modes from free energy calculations.
@nl
prefLabel
Predicting binding modes from free energy calculations.
@en
Predicting binding modes from free energy calculations.
@nl
P2093
P356
P1476
Predicting binding modes from free energy calculations.
@en
P2093
Johan Aqvist
Lars Boukharta
Martin Nervall
Peter Hanspers
P304
P356
10.1021/JM701218J
P407
P577
2008-04-12T00:00:00Z