Pocketome: an encyclopedia of small-molecule binding sites in 4D
about
Can the energy gap in the protein-ligand binding energy landscape be used as a descriptor in virtual ligand screening?A comprehensive survey of small-molecule binding pockets in proteinsTowards structural systems pharmacology to study complex diseases and personalized medicineStructure-based druggability assessment of the mammalian structural proteome with inclusion of light protein flexibilityEmerging Computational Methods for the Rational Discovery of Allosteric Drugs.Structural database resources for biological macromolecules.Protein structural motifs in prediction and design.Compound activity prediction using models of binding pockets or ligand properties in 3D.ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.Small molecule inhibitors of Bacillus anthracis protective antigen proteolytic activation and oligomerization.Assessing variation in the potential susceptibility of fish to pharmaceuticals, considering evolutionary differences in their physiology and ecologyIn silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor α.Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures.sc-PDB: a 3D-database of ligandable binding sites--10 years onDocking and scoring with ICM: the benchmarking results and strategies for improvement.Normal Modes Expose Active Sites in Enzymes.Historeceptomic Fingerprints for Drug-Like Compounds.Pocket-based drug design: exploring pocket spaceLISE: a server using ligand-interacting and site-enriched protein triangles for prediction of ligand-binding sitesMolecular basis for benzodiazepine agonist action at the type 1 cholecystokinin receptor.Pivotal role of P450-P450 interactions in CYP3A4 allostery: the case of α-naphthoflavone.ASD v2.0: updated content and novel features focusing on allosteric regulation.PLIC: protein-ligand interaction clusters.Overview of Recent Progress in Protein-Expression Technologies for Small-Molecule Screening.In silico analysis of the conservation of human toxicity and endocrine disruption targets in aquatic species.A Machine Learning Approach to Explain Drug Selectivity to Soluble and Membrane Protein Targets.PeptiSite: a structural database of peptide binding sites in 4D.Polypharmacology in Drug Development: A Minireview of Current Technologies.Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping.Global organization of a binding site network gives insight into evolution and structure-function relationships of proteins.Analysis of drug binding pockets and repurposing opportunities for twelve essential enzymes of ESKAPE pathogensQuantum Mechanics Approaches to Drug Research in the Era of Structural ChemogenomicsOrphan receptor ligand discovery by pickpocketing pharmacological neighbors.Structure-based predictions of activity cliffs.Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach.The anthelmintic praziquantel is a human serotoninergic G-protein-coupled receptor ligand.Convergence of Wnt, growth factor, and heterotrimeric G protein signals on the guanine nucleotide exchange factor Daple.Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design.Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
P2860
Q28484330-C180EF13-FA93-495C-ADCC-A6532831FE98Q28534683-C5CA8FFB-7F20-4F41-B4D3-C055CFEC1B55Q28538838-FD123E8D-96A3-4E0B-A869-262EB3392FD2Q28541379-DB3815FC-0EBC-4F81-A9F2-17A04A650469Q30358225-E9EDED81-3E1A-42B3-8F1D-A5D888853344Q30389067-A065EB02-FEEA-46C6-A242-3E7B0091F2B5Q30401554-5301D748-9B9D-497D-9DEE-B880C12D4974Q30423071-F028D41B-5D59-4D03-A8E5-310F1DF469DAQ34402706-BB4C724F-DD95-4820-B1CB-C87FB9C299A1Q34407314-9D731548-BD63-45DC-B37F-8917FDFAEC50Q34423526-146FD7A7-2E2E-4AB0-AB18-A3E01388E15AQ34737042-00A04AC4-58E7-48A8-96D5-3CA46B629E98Q35253578-0838F790-A43F-409C-8E34-FC96E4EB2FA7Q35254711-4AB7B1A5-B559-423A-BEE0-F126608895F3Q36098710-E6D40BC9-E1FE-4AC2-853B-7A7BA6EDCA99Q36230397-444D5CAD-AD94-4160-AD0A-9A98508D40FBQ36381758-EF2C5BB4-8C01-4ACD-83CD-66227730D9DBQ36502439-D962C014-0D06-4B0F-A170-B4A8DB760460Q36954008-08C7C1D8-B0D8-47C5-9C06-11090BF37996Q37175130-2525EBF5-F145-40E3-918A-736A30BF4371Q37483394-9F5F368A-0845-495C-9329-03575CC1BFBBQ37661864-05A29273-1596-419F-9638-ECCB50423514Q37720641-8DB90D6A-C9DD-4F72-A1FD-CA24E07A853CQ38187867-90A5FC69-6925-48AA-8554-1E80AC832693Q38259547-0A74947C-4B01-4B6B-B5B2-3AC67C792342Q38392886-5006C633-4BA7-4407-926F-DAC6BA547C49Q38616659-CB889B44-EE5B-4562-A0A8-CC327A3BB18BQ38827815-F9608E52-E28A-4EE7-945E-79056029175FQ39096521-CA5D481F-0452-426B-90CA-00F09DAB6F87Q41049584-596FC398-0607-48E4-ADBA-E35093837CF2Q41694518-113C8BD4-F0AF-4CD2-9E34-E5470C60AC3EQ42107113-4931194E-792D-4C64-9BB2-F312ACD60858Q42112336-DEB19608-2F1B-4747-B7F3-BC9D2ECD4C6CQ42121557-ED1D9B92-1BA4-4D68-A852-397E74A51DDDQ42701435-D4DBAB7C-82CC-4AA9-83C3-CC1E05E31A3BQ45942240-89A14A4C-E453-4344-BD5E-B5CA723ACE71Q46247381-5545086E-D8D1-4AF5-A60A-1CE80B65BC92Q52371987-82808F4F-CC7B-49F1-8B34-110627FCC897Q53076714-E555ABAF-EBE1-4CDD-B4F7-A2874F1B9741Q54152494-348E25F5-EC8F-45AD-A85F-8D8D250E854B
P2860
Pocketome: an encyclopedia of small-molecule binding sites in 4D
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@ast
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@en
type
label
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@ast
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@en
prefLabel
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@ast
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@en
P2860
P356
P1476
Pocketome: an encyclopedia of small-molecule binding sites in 4D
@en
P2093
Andrey V Ilatovskiy
Irina Kufareva
P2860
P304
P356
10.1093/NAR/GKR825
P407
P433
Database issue
P577
2011-11-12T00:00:00Z