Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space.
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PubChem structure–activity relationship (SAR) clustersConfab - Systematic generation of diverse low-energy conformersPubChem3D: Conformer generationEffects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.Exploiting PubChem for Virtual Screening.PubChem3D: conformer ensemble accuracy.Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design.Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble.
P2860
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P2860
Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space.
description
2007 nî lūn-bûn
@nan
2007 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Assessment of conformational e ...... erage of conformational space.
@ast
Assessment of conformational e ...... erage of conformational space.
@en
type
label
Assessment of conformational e ...... erage of conformational space.
@ast
Assessment of conformational e ...... erage of conformational space.
@en
prefLabel
Assessment of conformational e ...... erage of conformational space.
@ast
Assessment of conformational e ...... erage of conformational space.
@en
P2860
P356
P1476
Assessment of conformational e ...... erage of conformational space.
@en
P2093
Fabien Fontaine
Yulia V Borodina
P2860
P304
P356
10.1021/CI7000956
P577
2007-06-15T00:00:00Z