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Predicting substrates by docking high-energy intermediates to enzyme structuresHERMANN, Johannes C; GHANEM, Eman; YINGCHUN LI et al.Journal of the American Chemical Society. 2006, Vol 128, Num 49, pp 15882-15891, issn 0002-7863, 10 p.Article

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Statistical Potential for Modeling and Ranking of Protein—Ligand InteractionsHAO FAN; SCHNEIDMAN-DUHOVNY, Dina; IRWIN, John J et al.Journal of chemical information and modeling. 2011, Vol 51, Num 12, pp 3078-3092, issn 1549-9596, 15 p.Article

Chemistry in cancer research : A vital partnershipSTURLA, Shana J; IRWIN, John J; LOEPPKY, Richard N et al.Cancer research (Baltimore). 2007, Vol 67, Num 14, pp 6539-6543, issn 0008-5472, 5 p.Article

The Presynaptic Component of the Serotonergic System is Required for Clozapine's EfficacyYADAV, Prem N; ABBAS, Atheir I; IRWIN, John J et al.Neuropsychopharmacology (New York, NY). 2011, Vol 36, Num 3, pp 638-651, issn 0893-133X, 14 p.Article

Automated Docking Screens: A Feasibility StudyIRWIN, John J; SHOICHET, Brian K; MYSINGER, Michael M et al.Journal of medicinal chemistry (Print). 2009, Vol 52, Num 18, pp 5712-5720, issn 0022-2623, 9 p.Article

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Predicting new molecular targets for known drugsKEISER, Michael J; SETOLA, Vincent; WHALEY, Ryan et al.Nature (London). 2009, Vol 462, Num 7270, pp 175-181, issn 0028-0836, 7 p.Article

Relating protein pharmacology by ligand chemistryKEISER, Michael J; ROTH, Bryan L; ARMBRUSTER, Blaine N et al.Nature biotechnology. 2007, Vol 25, Num 2, pp 197-206, issn 1087-0156, 10 p.Article