about
targetTB: a target identification pipeline for Mycobacterium tuberculosis through an interactome, reactome and genome-scale structural analysisThe Structural Biology Knowledgebase: a portal to protein structures, sequences, functions, and methodsBindingDB: a web-accessible database of experimentally determined protein-ligand binding affinitiesAffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDBApplication of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockAutoDock 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 libraryAutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock VinaVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsA machine learning approach to predicting protein-ligand binding affinity with applications to molecular dockingA 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 dockingChEMBL: a large-scale bioactivity database for drug discoveryHigh-performance drug discovery: computational screening by combining docking and molecular dynamics simulationsIn silico assessment of potential druggable pockets on the surface of α1-antitrypsin conformersCombinatorial clustering of residue position subsets predicts inhibitor affinity across the human kinomeInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionBindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacologyThe Protein Data Bank archive as an open data resourcePublic domain databases for medicinal chemistryDistribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discoveryProtein ligand-specific binding residue predictions by an ensemble classifierDifferent combinations of atomic interactions predict protein-small molecule and protein-DNA/RNA affinities with similar accuracyBenchmarking sets for molecular dockingA Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.Platinum: a database of experimentally measured effects of mutations on structurally defined protein-ligand complexes.Protein structure analysis online.Fractal Dimensions of Macromolecular Structures.Toward a quantitative theory of intrinsically disordered proteins and their functionCSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.VoteDock: consensus docking method for prediction of protein-ligand interactions.Compound activity prediction using models of binding pockets or ligand properties in 3D.Cross-Mapping of Protein - Ligand Binding Data Between ChEMBL and PDBbind.Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database.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.PDB-wide collection of binding data: current status of the PDBbind database.Analyzing the simplicial decomposition of spatial protein structures.A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.PharmDock: a pharmacophore-based docking program.Binding affinity prediction with property-encoded shape distribution signatures
P2860
Q21202793-40A5F586-A77D-483D-8B8F-D9C40A884D7FQ24604825-19DACE66-9320-476B-B15C-906D6A72E959Q24675698-CEFB25EF-1A04-48B5-B7C5-B50979B073CFQ25257808-CF9902D4-E17B-4014-8AA6-9ED17175AC97Q27702054-3D7C47AE-6051-4FFF-A1D6-0F420B8A4252Q27860652-E7215C74-9C55-40A5-9C91-B52B2F6314ABQ27902310-6F60F1FC-1D0D-4C94-AA40-895A978B2F01Q27902339-6CA30F4E-3F21-4ED7-B8A1-95767218E013Q28068082-E64B7AE4-2110-4177-8EC6-ABFC1794C96BQ28276262-0C1F85CF-6A04-4379-A3EE-983075FC286DQ28282247-037895A7-D21F-444B-924A-9F1FDEAE4380Q28306830-159B16D8-3EAE-4D5B-9FAD-88C01616CCCAQ28315179-7CBFCB48-0B99-4995-A19D-47861487D34BQ28476233-EE720A9D-AB0C-494E-9FD5-7676FA6DDF75Q28483516-041BC9D1-4BD6-458A-A2F5-C5003F649A66Q28533671-1BDDC9A0-12FD-4525-9E02-DA91A1CBD42EQ28534051-EE88631B-C59E-473D-9C5E-CD24D735BABEQ28603124-AADEA70C-0850-4BD7-A966-F4C707B92F81Q28654725-90970669-4991-45D7-A5F2-CABAF74D5957Q28728238-FD8F04E0-7184-49BA-B159-EEC84C262CF0Q28754659-157F19B4-1574-4F0D-9652-7192988053A8Q28821112-EB858AD6-B509-4572-9D52-24565FBE2633Q28822370-B27A8455-8F7E-451E-8AA8-AC95053A8025Q29619637-A0C634B9-9ECE-4DD1-884D-6286138D1247Q30360125-4D8A1970-FF79-4F56-981E-B490508320ABQ30367904-823690E1-28E6-4B3F-B3C5-3A5626C12ABFQ30368994-17E56200-29CB-4EA1-82EB-3F81E7B3291FQ30377207-BC5FF107-6B9E-4E27-8B83-74F3E4255E90Q30382415-EC74D8BA-3B83-4BDB-85EC-26DF1488CBE7Q30387722-665756E5-2FA8-45A3-BE7A-5D59D70875D3Q30393255-31E8A13B-4B38-4964-AA89-7772B0284DE3Q30423071-4652D3D3-5F17-485A-B91C-4B1FC84DFBFCQ30489659-160D13B3-BBB0-45C3-AE2F-F88BB9964540Q30494222-26ACB438-BA9A-4F71-9B54-1E9CF136C3BFQ30835329-0A7329E7-B238-4227-B464-86810BD1A6D3Q30858984-85786D80-270F-42D8-AACB-679EB9E9AD4BQ33322198-DA79AC22-2CC2-4FAE-8C61-00C1C07AA1B1Q33557818-10D55929-7AA9-47C0-9970-DDEA0B44DFA3Q33574511-873115F8-7D7A-4ABF-87E9-5EAA71526974Q33757755-24220049-9607-42FA-9DD2-8546D79DE5E2
P2860
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունիսին 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
The PDBbind database: methodologies and updates.
@ast
The PDBbind database: methodologies and updates.
@en
The PDBbind database: methodologies and updates.
@nl
type
label
The PDBbind database: methodologies and updates.
@ast
The PDBbind database: methodologies and updates.
@en
The PDBbind database: methodologies and updates.
@nl
prefLabel
The PDBbind database: methodologies and updates.
@ast
The PDBbind database: methodologies and updates.
@en
The PDBbind database: methodologies and updates.
@nl
P2093
P356
P1476
The PDBbind database: methodologies and updates.
@en
P2093
Chao-Yie Yang
Renxiao Wang
Shaomeng Wang
Xueliang Fang
P304
P356
10.1021/JM048957Q
P407
P577
2005-06-01T00:00:00Z