Literature DB >> 16784462

PHASE: a novel approach to pharmacophore modeling and 3D database searching.

Steven L Dixon1, Alexander M Smondyrev, Shashidhar N Rao.   

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Year:  2006        PMID: 16784462     DOI: 10.1111/j.1747-0285.2006.00384.x

Source DB:  PubMed          Journal:  Chem Biol Drug Des        ISSN: 1747-0277            Impact factor:   2.817


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  134 in total

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2.  Discovery of new Mycobacterium tuberculosis proteasome inhibitors using a knowledge-based computational screening approach.

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4.  An ab initio quantum mechanical drug designing procedure: application to the design of balanced dual ACE/NEP inhibitors.

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5.  Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors.

Authors:  Xian-qiang Sun; Lei Chen; Yao-zong Li; Wei-hua Li; Gui-xia Liu; Yao-quan Tu; Yun Tang
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6.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

7.  Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds.

Authors:  Bill R Miller; Adrian E Roitberg
Journal:  J Mol Graph Model       Date:  2013-08-16       Impact factor: 2.518

8.  A chemical inhibitor of heat shock protein 78 (HSP78) from Leishmania donovani represents a potential antileishmanial drug candidate.

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Journal:  J Biol Chem       Date:  2020-05-29       Impact factor: 5.157

9.  Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.

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Journal:  Methods       Date:  2014-12-03       Impact factor: 3.608

10.  Dual Screening of BPTF and Brd4 Using Protein-Observed Fluorine NMR Uncovers New Bromodomain Probe Molecules.

Authors:  Andrew K Urick; Laura M L Hawk; Melissa K Cassel; Neeraj K Mishra; Shuai Liu; Neeta Adhikari; Wei Zhang; Camila O dos Santos; Jennifer L Hall; William C K Pomerantz
Journal:  ACS Chem Biol       Date:  2015-07-28       Impact factor: 5.100

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