Detailed analysis of scoring functions for virtual screening.
about
Identification of xenoestrogens in food additives by an integrated in silico and in vitro approachMolecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virusCrystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural AnalysisRescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental TestingComprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-LactamaseComplementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain InhibitorsTargeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular ModelingPrediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodBenchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceLarge scale study of multiple-molecule queriesComparing neural-network scoring functions and the state of the art: applications to common library screeningHigh-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsIdentification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitorsAn efficient computational method for calculating ligand binding affinitiesInhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionComputational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual ScreeningDesign of glycopeptides used to investigate class II MHC binding and T-cell responses associated with autoimmune arthritisBenchmarking sets for molecular dockingDecoys for dockingDocking screens: right for the right reasons?Computational methods in drug discovery.Virtual ligand screening against comparative protein structure models.Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds.Binding site characteristics in structure-based virtual screening: evaluation of current docking tools.Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methods.Scoring functions and enrichment: a case study on Hsp90.An effective docking strategy for virtual screening based on multi-objective optimization algorithm.Molecular docking screens using comparative models of proteinsSmall molecule inhibitors of histone acetyltransferase Tip60Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: analysis of scoring functions applied to large true actives and decoy sets.Novel human mPGES-1 inhibitors identified through structure-based virtual screening.When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values.Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactionsAdvances and challenges in protein-ligand dockingProbing molecular docking in a charged model binding site.Binding modes of peptidomimetics designed to inhibit STAT3.Virtual screening of the estrogen receptor.Pharmacophore modelling: applications in drug discovery.Identification of novel small molecule TGF-β antagonists using structure-based drug design.Virtual screening using molecular simulations.
P2860
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P2860
Detailed analysis of scoring functions for virtual screening.
description
2001 nî lūn-bûn
@nan
2001 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի մարտին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Detailed analysis of scoring functions for virtual screening.
@ast
Detailed analysis of scoring functions for virtual screening.
@en
type
label
Detailed analysis of scoring functions for virtual screening.
@ast
Detailed analysis of scoring functions for virtual screening.
@en
prefLabel
Detailed analysis of scoring functions for virtual screening.
@ast
Detailed analysis of scoring functions for virtual screening.
@en
P356
P1476
Detailed analysis of scoring functions for virtual screening.
@en
P304
P356
10.1021/JM0003992
P407
P577
2001-03-01T00:00:00Z