The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.
about
A structure-based benchmark for protein-protein binding affinityBindingDB: a web-accessible database of experimentally determined protein-ligand binding affinitiesSuperLigands - a database of ligand structures derived from the Protein Data BankAffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDBDirect and Propagated Effects of Small Molecules on Protein-Protein Interaction NetworksFine-tuning multiprotein complexes using small moleculesComputational methods in drug discoveryAutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingBCL::Conf: small molecule conformational sampling using a knowledge based rotamer libraryIDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug dataAutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock VinaA fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pocketsFast automated placement of polar hydrogen atoms in protein-ligand complexesVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsSupport vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical librariesA consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring functionistar: a web platform for large-scale protein-ligand dockingPlumbagin elicits differential proteomic responses mainly involving cell cycle, apoptosis, autophagy, and epithelial-to-mesenchymal transition pathways in human prostate cancer PC-3 and DU145 cellsBinding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurementsHigh-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsMining significant substructure pairs for interpreting polypharmacology in drug-target networkWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?ChemMine tools: an online service for analyzing and clustering small moleculesInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionExploring the composition of protein-ligand binding sites on a large scaleCombining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacologyPublic domain databases for medicinal chemistryAn overview of the PubChem BioAssay resourceDPDR-CPI, a server that predicts Drug Positioning and Drug Repositioning via Chemical-Protein InteractomeACFIS: a web server for fragment-based drug discoveryPubChem: a public information system for analyzing bioactivities of small moleculesBuilding a virtual ligand screening pipeline using free software: a surveyA Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.VoteDock: consensus docking method for prediction of protein-ligand interactions.BUDDY-system: A web site for constructing a dataset of protein pairs between ligand-bound and unbound statesCompound activity prediction using models of binding pockets or ligand properties in 3D.Cross-Mapping of Protein - Ligand Binding Data Between ChEMBL and PDBbind.Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural data.PDB-wide collection of binding data: current status of the PDBbind database.
P2860
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P2860
The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.
description
2004 nî lūn-bûn
@nan
2004 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
The PDBbind database: collecti ...... three-dimensional structures.
@ast
The PDBbind database: collecti ...... three-dimensional structures.
@en
The PDBbind database: collecti ...... three-dimensional structures.
@nl
type
label
The PDBbind database: collecti ...... three-dimensional structures.
@ast
The PDBbind database: collecti ...... three-dimensional structures.
@en
The PDBbind database: collecti ...... three-dimensional structures.
@nl
prefLabel
The PDBbind database: collecti ...... three-dimensional structures.
@ast
The PDBbind database: collecti ...... three-dimensional structures.
@en
The PDBbind database: collecti ...... three-dimensional structures.
@nl
P2093
P356
P1476
The PDBbind database: collecti ...... three-dimensional structures.
@en
P2093
Renxiao Wang
Shaomeng Wang
Xueliang Fang
P304
P356
10.1021/JM030580L
P407
P577
2004-06-01T00:00:00Z