Hierarchical docking of databases of multiple ligand conformations - Test2 - elhamkhani - TriplyDB

Hierarchical docking of databases of multiple ligand conformations

Hierarchical docking of databases of multiple ligand conformations

http://www.wikidata.org/entity/Q24538548

about

Structure-based activity prediction for an enzyme of unknown function Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase Molecular docking and ligand specificity in fragment-based inhibitor discovery Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities Deamination of 6-Aminodeoxyfutalosine in Menaquinone Biosynthesis by Distantly Related Enzymes Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface Automated docking screens: a feasibility study Binding-site assessment by virtual fragment screening IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening Covalent docking predicts substrates for haloalkanoate dehalogenase superfamily phosphatases Ligand pose and orientational sampling in molecular docking ZINC: a free tool to discover chemistry for biology Benchmarking sets for molecular docking Comprehensive structural and functional characterization of the human kinome by protein structure modeling and ligand virtual screening.Virtual ligand screening against comparative protein structure models.Template-based protein structure modeling using the RaptorX web server.MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.Molecular docking screens using comparative models of proteins Structure-based discovery of A2A adenosine receptor ligands.Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening.Advances and challenges in protein-ligand docking Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach.Probing molecular docking in a charged model binding site.Catalytic mechanism and three-dimensional structure of adenine deaminase.Major prospects for exploring canine vector borne diseases and novel intervention methods using 'omic technologies Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.Statistical potential for modeling and ranking of protein-ligand interactions Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists.Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.An APE1 inhibitor reveals critical roles of the redox function of APE1 in KSHV replication and pathogenic phenotypes Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists Structure-based discovery of antagonists of nuclear receptor LRH-1.Muscarinic receptors as model targets and antitargets for structure-based ligand discovery.

P2860

Q24642801-AC2415C8-F9BD-40B6-BBAD-5D9604818345 Q26773062-9F35DA05-3727-4A19-B038-CE4D523675A2 Q27650049-3439C101-5789-4B57-8F42-2A25ADFF7A5D Q27654237-D791BEAA-EFA5-4019-AEA3-412EC3E1178C Q27657362-95B9039C-2993-4C5E-BA21-AF637CDE77C4 Q27662173-DE9C26D1-AF3A-464D-9316-8A4048068089 Q27679166-709DFF45-553A-4F17-B132-7E9D9FEA5B4B Q27679789-10557974-5E2B-4094-9000-0D47D62F1D53 Q27683679-0BAE2842-3FF7-4225-B78A-7BE17A59CA75 Q27704531-390A4E7D-9D34-47A8-B5D7-326767DBC087 Q28256939-757FF17F-9066-4C7E-B0E4-E3ACBBDAA0B2 Q28473615-5FE7F528-0D88-4937-B3F8-586373C91368 Q28483059-E0711C8D-0202-4833-A0E4-F9B1DB318FDE Q28492136-29FF9B40-6D85-475B-AC22-CD2766D87ADB Q28533958-FA5BDED4-62C2-4599-99EB-A1EA44995C1F Q29615857-6894FB61-8AFA-4ABF-B073-80C7E3908024 Q29619637-19A5ECC6-E256-4D81-AC8B-8BADC99819C5 Q30393891-03603102-F4E5-431A-B17E-5109FA06D079 Q30410854-386DC6C0-5E8F-42E4-8FD5-F937371D7FF7 Q30419445-93DC8D06-3ACA-4A2B-80D2-B62174A001B4 Q33327574-FA3207ED-CA20-4D80-9DE7-CAA784CB7518 Q33511631-B8C725DD-3195-4BAF-B1F7-37265F7E1C7D Q33560239-E84528EF-1431-40D9-992E-767A179292CC Q34331008-E3478619-93B9-4634-A136-FB1DE2B62679 Q34377911-0D0296A7-0DBC-4358-A6AB-5B1CEE4B28BD Q34380036-E5A6AA2E-B2A5-420F-8FBE-4BF89141932F Q34397703-EEE4515D-1468-48A0-BC45-AE8445653864 Q34516171-8BD783E0-C643-48A6-B270-8C1BE0F81FF8 Q34687303-2DC7C7A7-FD08-4A2D-AC13-B6C46FD04F7D Q34985660-7B17F309-8349-4ED5-8816-A28D4A970AC7 Q35206344-6D6C86E7-9263-4D7C-BEA9-EBCE74AAD6AE Q35229337-85AA6519-328B-480E-9AF3-2C01F6D38D5A Q35549895-BD8CB520-A00F-40B1-B9AD-F15185AB049A Q35635713-C9511AF9-29C4-4872-A417-C109AFFC9240 Q36083075-365B582F-7460-4935-961A-DB4FB138B22A Q36109893-F217995B-9988-4515-B0F8-D453D55FC46B Q36336086-0BE82E6F-D2DE-488A-9A5B-2CBCA48FC5A3 Q36546173-EB0B55E5-9CF3-4155-9869-BF5324C3C137 Q37000608-2552345B-1D14-4FB2-A88E-68A6F2C59016 Q37193147-74297961-BD37-4D8C-B28A-3286D79CB670

P2860

Hierarchical docking of databases of multiple ligand conformations

http://www.wikidata.org/entity/Q24538548

description

2005 nî lūn-bûn

@nan

2005 թուականի Յունուարին հրատարակուած գիտական յօդուած

@hyw

2005 թվականի հունվարին 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

Hierarchical docking of databases of multiple ligand conformations

@ast

Hierarchical docking of databases of multiple ligand conformations

@en

Hierarchical docking of databases of multiple ligand conformations

@nl

type

label

Hierarchical docking of databases of multiple ligand conformations

@ast

Hierarchical docking of databases of multiple ligand conformations

@en

Hierarchical docking of databases of multiple ligand conformations

@nl

prefLabel

Hierarchical docking of databases of multiple ligand conformations

@ast

Hierarchical docking of databases of multiple ligand conformations

@en

Hierarchical docking of databases of multiple ligand conformations

@nl

P1433

Q24538548-62D8AC2F-6F2E-4CA2-BFB9-812728D9DB76

P1476

Q24538548-E405A8E9-8296-4E68-AA06-AB39D9B6D0C1

P2093

Q24538548-41F353F4-9657-4AB5-A3C2-1229299BCA88

Q24538548-CDB8F774-7C1C-47C8-A23C-0A7DD38DF3B6

P2860

Q24538548-0C106A87-3215-4EC1-BA3E-1E04BFF12B7F

Q24538548-11AF9889-F6BF-4A2E-B887-0D0EDF2EF993

Q24538548-149014D3-C513-4913-A20F-8A12C741B3E6

Q24538548-20F7BD80-A1C5-4B87-9CA3-9D37DE599FE2

Q24538548-2B5D62B1-8B8D-4FA3-92CE-D0E18F422121

Q24538548-2C46433C-EE77-434C-84F0-67A9ACBF3C5D

Q24538548-2D919762-C05E-40BA-ACE6-0F5BA611F1C5

Q24538548-3D2A38B7-7723-458D-8B95-12C9727C535A

Q24538548-3D84A866-BE59-409E-98EA-D4EC4FEC321C

Q24538548-433A7C21-B767-4ACA-A3CC-7B3AE8B1DC7E

P304

Q24538548-5EF44E72-FB1C-450F-A980-5633FB466C4C

P31

Q24538548-75AF38EE-DA5B-4B47-9CDE-A46D5C51224B

P356

Q24538548-E37BBAB2-F44B-4E31-8F20-DE1DDC0E7860

P407

Q24538548-BF14690F-60DB-40CF-BB2E-6D573FFC28B7

P433

Q24538548-E723A544-4E21-4DB4-A460-366CBE86B7A2

P478

Q24538548-36946CA2-EC2C-462B-93D5-4D8E24CDDC34

P577

Q24538548-B846873D-CE8D-4A49-AC9C-708BDF5A20AF

P5875

Q24538548-6340F274-C240-4FF6-9B74-91243ABD2CC0

P698

Q24538548-183C2B3B-323E-4B09-B980-BC7A004F2F28

P921

Q24538548-79B7943E-04CC-4D5A-8919-E99FC34C8E26

P932

Q24538548-81B5A596-BD9F-4A70-A570-9DFDDD7F0E72

P356

1568026054637683

P1433

Current Topics in Medicinal Chemistry

P1476

Hierarchical docking of databases of multiple ligand conformations

@en

P2093

Brian K Shoichet

http://www.w3.org/2001/XMLSchema#string

David M Lorber

http://www.w3.org/2001/XMLSchema#string

P2860

Flexible ligand docking using conformational ensembles

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase

Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

Development and validation of a genetic algorithm for flexible docking

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

Automated docking of flexible ligands: applications of AutoDock

Dominant forces in protein folding

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

P304

739-749

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.2174/1568026054637683

http://www.w3.org/2001/XMLSchema#string

P407

P433

8

http://www.w3.org/2001/XMLSchema#string

P478

5

http://www.w3.org/2001/XMLSchema#string

P577

2005-01-01T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P5875

7659948

http://www.w3.org/2001/XMLSchema#string

P698

16101414

http://www.w3.org/2001/XMLSchema#string

P921

P932

1364474

http://www.w3.org/2001/XMLSchema#string