About: New approach to molecular docking and its application to virtual screening of chemical databases

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scientific article published on 01 March 2000

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) wüsseschaftlicher Artikel, wo im März 2000 veröffentlicht worden isch (gsw) im März 2000 veröffentlichter wissenschaftlicher Artikel (de) наукова стаття, опублікована в березні 2000 (uk) artículu científicu espublizáu en marzu de 2000 (ast) scientific article published on 01 March 2000 (en)
publication date	wds:Q73667207-070D1E11-B3E6-4A41-83A1-9BAB5C62F4AC
publication date	2000-03-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q73667207-1E17E636-774B-4B82-9AF8-2766C36AE6C4 wds:Q73667207-33DD9621-DEF8-495B-A8C2-1B2217E3445D wds:Q73667207-4BC7577E-F532-41CB-9EF8-B1362959A81B wds:Q73667207-564A8058-60C8-4859-A296-357C0D02C08D wds:Q73667207-886EC233-65F4-4484-88E1-4C0EF45D39BE wds:Q73667207-C5887C52-FB58-46DD-A30F-2CA93DD11010 wds:Q73667207-E1B69BA9-AB72-4BA8-92AB-24C5A23E6058 wds:Q73667207-EB26708D-E2FA-42B1-BE8D-681860BA7E5B
author name string	Li J Wylie W Murray CW Waszkowycz B Sykes RA Baxter CA Bone RG Perkins TD
rdfs:label	New approach to molecular docking and its application to virtual screening of chemical databases (en) New approach to molecular docking and its application to virtual screening of chemical databases (nl)
skos:prefLabel	New approach to molecular docking and its application to virtual screening of chemical databases (en) New approach to molecular docking and its application to virtual screening of chemical databases (nl)
name	New approach to molecular docking and its application to virtual screening of chemical databases (en) New approach to molecular docking and its application to virtual screening of chemical databases (nl)
title	wds:Q73667207-FEF51F36-3F6C-4867-A5FA-2D208167DA8B
title	New approach to molecular docking and its application to virtual screening of chemical databases (en)
page(s)	wds:Q73667207-56067F62-A691-4827-AFD1-72651EEE22FC
page(s)	254-262
instance of	wds:Q73667207-DE48A56C-AF32-4448-B6A2-A814D8A3C35A
instance of	scholarly article
main subject	wds:Q73667207-958D9241-1CFD-4B82-B94D-2BAC51F34F31
main subject	virtual screening
PubMed ID	wds:Q73667207-DB188D91-4849-406A-A57C-46DA331762A4
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/10761126
PubMed ID	10761126
DBLP publication ID	wds:Q73667207-9C12F040-8FA9-47AC-A5F2-1D71D5068C39
DBLP publication ID	https://dblp.org/rec/journals/jcisd/BaxterMWLSBPW00
DBLP publication ID	journals/jcisd/BaxterMWLSBPW00
published in	wds:Q73667207-0253D1D8-3D95-49F8-B3A4-F460300DDDD6
published in	Journal of Chemical Information and Computer Sciences
issue	wds:Q73667207-13FD7E4F-5AE2-478E-A67F-6EAE76CF879A
volume	wds:Q73667207-710C284D-BD45-4310-8ABD-F7D5549B9B54
issue	2
volume	40
DOI	wds:Q73667207-397C55D8-41FD-491E-BC92-46C6089279F1
DOI	http://dx.doi.org/10.1021/CI990440D
DOI	10.1021/CI990440D
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q73667207
is cites work of	Discovery of novel DNA gyrase inhibitors by high-throughput virtual screening Structure-based virtual screening: an overview A web-based platform for virtual screening Docking and scoring in virtual screening for drug discovery: methods and applications A review of protein-small molecule docking methods Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. Modified AutoDock for accurate docking of protein kinase inhibitors Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design. Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success. Synthesis, X-ray Single Crystal Structure, Molecular Docking and DFT Computations on N-[(1E)-1-(2H-1,3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propylidene]-hydroxylamine: A New Potential Antifungal Agent Precursor A Discovery Funnel for Nucleic Acid Binding Drug Candidates Low potency toxins reveal dense interaction networks in metabolism Virtual screening of virtual libraries Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening Different ligands-different receptor conformations: modeling of the hER alpha LBD in complex with agonists and antagonists High-throughput and virtual screening: core lead discovery technologies move towards integration Unsupervised guided docking of covalently bound ligands Scoring functions and enrichment: a case study on Hsp90. Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques Using a Consensus Docking Approach to Predict Adverse Drug Reactions in Combination Drug Therapies for Gulf War Illness
is cites work of	wds:Q30947014-14174E2A-AA71-432F-85D2-81B64F11F835 wds:Q46568800-8BC5D82D-F218-46E3-BC12-E236D7E53856 wds:Q35929358-82C7F804-CFCC-4F4C-8CD1-01FC259C3921 wds:Q34115368-66FC9732-2962-434C-BD6B-12BFFA4B24BB wds:Q34405638-41CD52AF-EF52-4CF4-BA50-BE6BF5EFFB2A wds:Q57012683-F08FADF5-829F-405D-86E5-4C5BE9388FF3 wds:Q74532023-A9560618-EB46-44A4-A04B-0040CC69BE4E wds:Q36094998-0A2DBA93-410D-4B93-84EE-04F740AC51A3 wds:Q35053155-9741DC13-60C8-4CA2-8E97-8B45D675A2B5 wds:Q34937524-EE4C8733-47B2-4D1E-B455-00DD52445863 wds:Q40582368-FA1AEAA5-874A-4E41-BD3D-FE3F04BAADC4 wds:Q30333075-3A2FD8F9-4D69-4F41-BFDE-6198C937220F wds:Q44472773-065B7598-F107-428C-8009-2AD20D5F4A4F wds:Q33270545-F81E9FD2-1A1A-458F-B8C0-3B127D9C08ED wds:Q73506577-A7EF916C-616C-4219-9B95-0CD4488170D6 wds:Q34364227-D4B8B35E-C8DC-4FC0-8DB2-4249A9CE6943 wds:Q34955056-2C493B83-DE48-499A-B531-ED055A76E70F wds:Q30939415-F88899D5-A8A2-42C8-9C77-6AB999E9746E wds:Q44109231-E4D9E313-70D2-4AFC-95C4-EFB90144582A wds:Q58114472-4C011000-A54A-410F-8700-82FED29E30D9

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