In pursuit of virtual lead optimization: pruning ensembles of receptor structures for increased efficiency and accuracy during docking.
about
Protein flexibility in docking and surface mappingConformational transitions upon ligand binding: holo-structure prediction from apo conformationsA Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte MetabolismThe Art of Compiling Protein Binding Site Ensembles.Utilizing experimental data for reducing ensemble size in flexible-protein docking.Structure-based approach to the development of potent and selective inhibitors of dihydrofolate reductase from cryptosporidium.Efficient incorporation of protein flexibility and dynamics into molecular docking simulationsKnowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.Induced fit docking, and the use of QM/MM methods in dockingChallenges and advances in computational docking: 2009 in review.Protein Flexibility in Drug Discovery: From Theory to Computation.Understanding the challenges of protein flexibility in drug design.2,4-Diamino-5-(2'-arylpropargyl)pyrimidine derivatives as new nonclassical antifolates for human dihydrofolate reductase inhibition.Scoring ensembles of docked protein:ligand interactions for virtual lead optimization.Exploring c-Met kinase flexibility by sampling and clustering its conformational space.Receptor flexibility in small-molecule docking calculations
P2860
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P2860
In pursuit of virtual lead optimization: pruning ensembles of receptor structures for increased efficiency and accuracy during docking.
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-hans
2009年学术文章
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2009年學術文章
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2009年學術文章
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name
In pursuit of virtual lead opt ...... y and accuracy during docking.
@en
In pursuit of virtual lead opt ...... y and accuracy during docking.
@nl
type
label
In pursuit of virtual lead opt ...... y and accuracy during docking.
@en
In pursuit of virtual lead opt ...... y and accuracy during docking.
@nl
prefLabel
In pursuit of virtual lead opt ...... y and accuracy during docking.
@en
In pursuit of virtual lead opt ...... y and accuracy during docking.
@nl
P2860
P356
P1433
P1476
In pursuit of virtual lead opt ...... y and accuracy during docking.
@en
P2093
Amy C Anderson
Erin S D Bolstad
P2860
P356
10.1002/PROT.22214
P407
P577
2009-04-01T00:00:00Z