Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query.
about
Modelling three-dimensional protein structures for applications in drug design.The Art of Compiling Protein Binding Site Ensembles.Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume CharacteristicsStructure-based virtual screening for drug discovery: principles, applications and recent advances.Statistical analysis of EGFR structures' performance in virtual screening.Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis.Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches.Decoys Selection in Benchmarking Datasets: Overview and Perspectives.Structural and mechanistic analysis of engineered trichodiene synthase enzymes from Trichoderma harzianum: towards higher catalytic activities empowering sustainable agriculture.Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets
P2860
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P2860
Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
Multiple structures for virtua ...... ze the selection of the query.
@en
Multiple structures for virtua ...... ze the selection of the query.
@nl
type
label
Multiple structures for virtua ...... ze the selection of the query.
@en
Multiple structures for virtua ...... ze the selection of the query.
@nl
prefLabel
Multiple structures for virtua ...... ze the selection of the query.
@en
Multiple structures for virtua ...... ze the selection of the query.
@nl
P2093
P356
P1476
Multiple structures for virtua ...... ze the selection of the query.
@en
P2093
Hélène Guillemain
Matthieu Montes
Nathalie Lagarde
Nesrine Ben Nasr
P304
P356
10.1021/CI3004557
P577
2013-01-29T00:00:00Z