Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
about
Interactomic and pharmacological insights on human sirt-1Antiviral compounds discovered by virtual screening of small-molecule libraries against dengue virus E proteinHierarchical docking of databases of multiple ligand conformationsMolecular and biochemical characterization of human galactokinase and its small molecule inhibitorsDesign of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groupsMorpheeins – A New Pathway For Allosteric Drug Discovery~!2010-02-12~!2010-05-21~!2010-06-08~!Shape shifting leads to small-molecule allosteric drug discoveryComputational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsThree-dimensional compound comparison methods and their application in drug discoveryIn silico discovery of aminoacyl-tRNA synthetase inhibitorsMolecular switches of the κ opioid receptor triggered by 6'-GNTI and 5'-GNTI.Development of a unique small molecule modulator of CXCR4The role of water in activation mechanism of human N-formyl peptide receptor 1 (FPR1) based on molecular dynamics simulationsAllosteric regulation of serine protease HtrA2 through novel non-canonical substrate binding pocket.Novel allosteric sites on Ras for lead generationStructural basis for G9a-like protein lysine methyltransferase inhibition by BIX-01294Computation-Facilitated Assignment of the Function in the Enolase Superfamily: A Regiochemically Distinct Galactarate Dehydratase from Oceanobacillus iheyensis ,Structural Basis of Cell Wall Cleavage by a Staphylococcal AutolysinAdding a Lysine Mimic in the Design of Potent Inhibitors of Histone Lysine MethyltransferasesNADH oxidase activity of Bacillus subtilis nitroreductase NfrA1: insight into its biological roleCrystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilisIdentification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysisApplying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial TargetStructural Analysis of a Protective Epitope of the Francisella tularensis O -PolysaccharideStructure of a Peptidoglycan Amidase Effector Targeted to Gram-Negative Bacteria by the Type VI Secretion SystemhCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studiesA neutral diphosphate mimic crosslinks the active site of human O-GlcNAc transferasePyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2)Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstructionNon-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assayParalog-selective Hsp90 inhibitors define tumor-specific regulation of HER2Structure and Function of a Novel LD-Carboxypeptidase A Involved in Peptidoglycan RecyclingStructure and mechanism of an inverting alkylsulfatase from Pseudomonas sp. DSM6611 specific for secondary alkyl sulfatesTaxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate siteStructure-based optimization of the terminal tripeptide in glycopeptide dendrimer inhibitors of Pseudomonas aeruginosa biofilms targeting LecATargeting Mycobacterium tuberculosis nucleoid-associated protein HU with structure-based inhibitorsLigand-bound structures of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis reveal a water channel connecting to the active site for the second step of catalysisApplication of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockDiscovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration AnalysisBenchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance
P2860
Q21129288-51C1FEFF-C8B3-4B78-8879-320BFF38A1FBQ22808780-6033B915-D0C4-4AD8-A74B-0DA138286663Q24538548-9330975C-AD43-4A36-A2CD-E72BFEFF7B23Q24607116-C6EBAE71-8389-45CC-93DE-A403FAE31C6AQ24611024-DFED6BB2-DA65-4373-8475-9230A545B5DCQ24626890-9D91EBC1-2359-43AA-8840-A4EB949E8B40Q24656252-8C84F8BA-C7D3-4872-BACA-717C59E99596Q26777448-A1347590-7D85-45A7-A8FA-E27F66BAB468Q26801796-1C0BFFFA-3CEA-4938-B4D1-CFF36A42DBCFQ27022214-535DE81D-F020-4098-B5C7-607B95785646Q27302413-428FF3E5-0418-4EB9-8E34-FD5CDCC12E2CQ27305638-D0CCD4B6-2D71-40FB-B256-406D1C2A5A88Q27315037-E07CEE22-518B-4FF5-97A1-F883A78E42ABQ27316788-BA0B8710-F38D-46B5-B10A-27253BCA49DBQ27317333-D870DE3B-A6D2-4E32-B729-733902DCB2C4Q27653816-DD919EF5-3319-41CF-8855-7B507111E08AQ27658038-D39338BD-D889-428C-808A-66B4C13D158BQ27660284-B8461074-D66D-414A-9D81-0B51B91A8C12Q27661108-51D1627C-2ED9-4786-B1E5-728168F5D2F4Q27664111-FFDA8696-7370-4973-A721-5929AFD9C580Q27666282-1E9DDF1C-1035-4399-B7C4-FA6FAAD8EA4DQ27666649-135A5EA2-7BF2-4CB0-B9C3-0161B6EED73CQ27666848-78F790CC-B018-438E-8120-505D8C38E022Q27670571-8904F6E1-4C8E-42A7-AD0E-351718AEFBA5Q27670823-F732C908-DD11-4604-A918-FB2044EBF8FAQ27675295-48552535-2280-462E-8595-168BCFE89299Q27675565-3FAE8A12-8101-4DA2-96CD-1CA0C9A18668Q27675669-6CBF4BC7-83B7-4590-B1BF-F5DB0F3E964BQ27678284-FA5C781C-A711-42CB-AD3F-823326E4223AQ27679837-33DA3B95-77FF-4237-94EC-CF4AE8B77FAFQ27679845-8EF92DEA-571E-4307-AA4D-980716A731D5Q27680320-DEBE6404-4DB1-42CD-AF57-EC4063989BFEQ27682757-8E6A8220-7BF8-435A-AC05-B42CEB9FC9EFQ27684323-008E420D-E34E-45D8-8F2D-EEC687B2D699Q27687825-D5D1B589-625A-43CB-B646-CFCF3A61CD1BQ27690716-41FEE012-DC20-4336-9FDF-D8895F606490Q27697950-073C8D4F-D829-43E7-87AF-F166D9BAA10EQ27702054-CBB5EB18-F400-4AF6-BB0A-892AB7D4D093Q27728041-10059BEC-C205-45D6-B8ED-F7C6DD0BEFFDQ27902269-3A957F25-1194-454C-9469-69B334D167DB
P2860
Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
description
2004 nî lūn-bûn
@nan
2004 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի մարտին 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
Glide: a new approach for rapi ...... factors in database screening
@ast
Glide: a new approach for rapi ...... factors in database screening
@en
type
label
Glide: a new approach for rapi ...... factors in database screening
@ast
Glide: a new approach for rapi ...... factors in database screening
@en
prefLabel
Glide: a new approach for rapi ...... factors in database screening
@ast
Glide: a new approach for rapi ...... factors in database screening
@en
P2093
P3181
P356
P1476
Glide: a new approach for rapi ...... factors in database screening
@en
P2093
Friesner RA
Halgren TA
Pollard WT
P304
P3181
P356
10.1021/JM030644S
P407
P577
2004-03-25T00:00:00Z