Virtual screening against highly charged active sites: identifying substrates of alpha-beta barrel enzymes.
about
Structure-based activity prediction for an enzyme of unknown functionDiscovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screeningCapturing Biological Activity in Natural Product Fragments by Chemical SynthesisLeveraging structure for enzyme function prediction: methods, opportunities, and challengesRescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental TestingComputation-Facilitated Assignment of the Function in the Enolase Superfamily: A Regiochemically Distinct Galactarate Dehydratase from Oceanobacillus iheyensis ,Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as β-Lactamase InhibitorsFragment-guided design of subnanomolar -lactamase inhibitors active in vivoStructure-guided discovery of the metabolite carboxy-SAM that modulates tRNA functionDevelopment and binding mode assessment of N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-γ-glutamyl-D-glutamic acid (BGC 945), a novel thymidylate synthase inhibitor that targetsDiscovery of new enzymes and metabolic pathways by using structure and genome contextEvolutionarily conserved substrate substructures for automated annotation of enzyme superfamiliesCovalent docking predicts substrates for haloalkanoate dehalogenase superfamily phosphatasesA high throughput screen identifies potent and selective inhibitors to human epithelial 15-lipoxygenase-2Outcome of a workshop on applications of protein models in biomedical researchConsiderations for designing chemical screening strategies in plant biology.Virtual screening of chemical libraries.Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methods.Scoring functions and enrichment: a case study on Hsp90.Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking.Studying enzyme-substrate specificity in silico: a case study of the Escherichia coli glycolysis pathwayPharmacophore-based virtual screening to aid in the identification of unknown protein function.A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.Molecular mechanics methods for predicting protein-ligand binding.Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.Prediction of the substrate for nonribosomal peptide synthetase (NRPS) adenylation domains by virtual screening.Treating entropy and conformational changes in implicit solvent simulations of small moleculesPrediction of function in protein superfamilies.Structure based virtual screening of anticanerous polyphenolic phytocompounds against G-protein coupled receptor and identification of potent antagonist ligand(s) through molecular docking.Improving the species cross-reactivity of an antibody using computational design.Computational evaluation of factors governing catalytic 2-keto acid decarboxylation.
P2860
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P2860
Virtual screening against highly charged active sites: identifying substrates of alpha-beta barrel enzymes.
description
2005 nî lūn-bûn
@nan
2005 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Virtual screening against high ...... of alpha-beta barrel enzymes.
@ast
Virtual screening against high ...... of alpha-beta barrel enzymes.
@en
type
label
Virtual screening against high ...... of alpha-beta barrel enzymes.
@ast
Virtual screening against high ...... of alpha-beta barrel enzymes.
@en
prefLabel
Virtual screening against high ...... of alpha-beta barrel enzymes.
@ast
Virtual screening against high ...... of alpha-beta barrel enzymes.
@en
P356
P1433
P1476
Virtual screening against high ...... of alpha-beta barrel enzymes.
@en
P2093
Chakrapani Kalyanaraman
Katarzyna Bernacki
P304
P356
10.1021/BI0481186
P407
P577
2005-02-01T00:00:00Z