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TITLE: Toward the Design of Mutation-Resistant Enzyme Inhibitors: Further Evaluation of the Substrate Envelope Hypothesis  Full Text
AUTHORS: Visvaldas Kairys; Michael K Gilson; Viney Lather; Celia A Schiffer; Miguel X Fernandes ;
PUBLISHED: 2009, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 74, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 14
22
TITLE: HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants  Full Text
AUTHORS: Michael D Altman; Akbar Ali; Kiran Kumar K K Reddy; Madhavi N L Nalam; Saima Ghafoor Anjum; Hong Cao; Sripriya Chellappan; Visvalclas Kairys; Miguel X Fernandes ; Michael K Gilson; Celia A Schiffer; Tariq M Rana; Bruce Tidor;
PUBLISHED: 2008, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 130, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 64
23
TITLE: Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis  Full Text
AUTHORS: Sripriya Chellappan; Kiran Kumar K K Reddy; Akbar Ali; Madhavi N L Nalam; Saima Ghafoor Anjum; Hong Cao; Visvaldas Kairys; Miguel X Fernandes ; Michael D Altman; Bruce Tidor; Tariq M Rana; Celia A Schiffer; Michael K Gilson;
PUBLISHED: 2007, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 69, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef: 30
24
TITLE: Erratum: Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis (Chemical Biology and Drug Design (2007) 69, (298-313))  Full Text
AUTHORS: Chellappan, S; Reddy, GSKK; Ali, A; Nalam, MNL; Anjum, SG; Cao, H; Kairys, V; Fernandes, MX ; Altman, MD; Tidor, B; Rana, TM; Schiffer, CA; Gilson, MK;
PUBLISHED: 2007, SOURCE: Chemical Biology and Drug Design, VOLUME: 69, ISSUE: 6
INDEXED IN: Scopus CrossRef: 1
IN MY: ORCID
25
TITLE: Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease  Full Text
AUTHORS: Sripriya Chellappan; Visvaldas Kairys; Miguel X Fernandes ; Celia Schiffer; Michael K Gilson;
PUBLISHED: 2007, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 68, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 34
26
TITLE: SitCon: Binding site residue conservation visualization and protein sequence-to-function tool  Full Text
AUTHORS: Visvaldas Kairys; Miguel X Fernandes ;
PUBLISHED: 2007, SOURCE: 6th European Conference on Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 107, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef
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TITLE: Lipid membrane-induced optimization for ligand-receptor docking: recent tools and insights for the "membrane catalysis" model  Full Text
AUTHORS: Castanho, MARB ; Fernandes, MX ;
PUBLISHED: 2006, SOURCE: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 35, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 48
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TITLE: Screening drug-like compounds by docking to homology models: A systematic study  Full Text
AUTHORS: Kairys, V; Fernandes, MX ; Gilson, MK;
PUBLISHED: 2006, SOURCE: 4th Indo-US Workshop on Mathematical Chemistry in JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 46, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 54
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TITLE: Using protein homology models for structure-based studies: Approaches to model refinement  Full Text
AUTHORS: Kairys, V; Gilson, MK; Fernandes, MX ;
PUBLISHED: 2006, SOURCE: THESCIENTIFICWORLDJOURNAL, VOLUME: 6
INDEXED IN: Scopus WOS CrossRef: 9
30
TITLE: Comparing ligand interactions with multiple receptors via serial docking
AUTHORS: Fernandes, MX ; Kairys, V; Gilson, MK;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, VOLUME: 44, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 12
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