about
The impact of GPCR structures on pharmacology and structure-based drug designTargeting UDP-galactopyranose mutases from eukaryotic human pathogensExploring the role of receptor flexibility in structure-based drug discoveryA pyrrolo-pyrimidine derivative targets human primary AML stem cells in vivoIn silico characterization of an atypical MAPK phosphatase of Plasmodium falciparum as a suitable target for drug discoveryAMMOS: Automated Molecular Mechanics Optimization tool for in silico ScreeningIdentification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitorsIspE inhibitors identified by a combination of in silico and in vitro high-throughput screeningVirtual screening models for prediction of HIV-1 RT associated RNase H inhibitionInhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibitionTargeting the intrinsically disordered structural ensemble of α-synuclein by small molecules as a potential therapeutic strategy for Parkinson's diseaseOptimal ligand descriptor for pocket recognition based on the Beta-shapeDevelopment of an in Silico Model of DPPH• Free Radical Scavenging Capacity: Prediction of Antioxidant Activity of Coumarin Type CompoundsStructure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors.Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening.Rapid Discovery and Structure-Activity Relationships of Pyrazolopyrimidines That Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL KinaseComprehensive structural and functional characterization of the human kinome by protein structure modeling and ligand virtual screening.Perspective: Alchemical free energy calculations for drug discovery.DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screeningEnrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.Structure-based development of novel adenylyl cyclase inhibitorsVirtual high throughput screening (vHTS)--a perspectiveA chemogenomics view on protein-ligand spaces.Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets.A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.Relating the shape of protein binding sites to binding affinity profiles: is there an association?Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.Computational perspectives into plasmepsins structure-function relationship: implications to inhibitors design.Structure-based development of novel sirtuin inhibitors.Efficient hit-finding approaches for histone methyltransferases: the key parameters.Principles of early drug discovery.The Binding Energy Distribution Analysis Method (BEDAM) for the Estimation of Protein-Ligand Binding Affinities.In silico discovery of potential VEGFR-2 inhibitors from natural derivatives for anti-angiogenesis therapy.Optimization of molecular docking scores with support vector rank regression.Advances in all atom sampling methods for modeling protein-ligand binding affinitiesVirtual Screening with AutoDock: Theory and Practice.Analysis of multiple compound-protein interactions reveals novel bioactive moleculesMacro and small over micro: macromolecules and small molecules that regulate microRNAs.Hendra and nipah infection: pathology, models and potential therapies.
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հոտեմբերին 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
Virtual screening strategies in drug discovery
@ast
Virtual screening strategies in drug discovery
@en
Virtual screening strategies in drug discovery
@nl
type
label
Virtual screening strategies in drug discovery
@ast
Virtual screening strategies in drug discovery
@en
Virtual screening strategies in drug discovery
@nl
prefLabel
Virtual screening strategies in drug discovery
@ast
Virtual screening strategies in drug discovery
@en
Virtual screening strategies in drug discovery
@nl
P3181
P1476
Virtual screening strategies in drug discovery
@en
P2093
Campbell McInnes
P304
P3181
P356
10.1016/J.CBPA.2007.08.033
P407
P577
2007-10-01T00:00:00Z