Interpreting steep dose-response curves in early inhibitor discoverySHOICHET, Brian K.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 25, pp 7274-7277, issn 0022-2623, 4 p.Article

Structure-based approach for binding site identification on AmpC β-lactamasePOWERS, Rachel A; SHOICHET, Brian K.Journal of medicinal chemistry (Print). 2002, Vol 45, Num 15, pp 3222-3234, issn 0022-2623Article

Synergy and antagonism of promiscuous inhibition in multiple- compound mixturesFENG, Brian Y; SHOICHET, Brian K.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 7, pp 2151-2154, issn 0022-2623, 4 p.Article

Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymesMCGOVERN, Susan L; SHOICHET, Brian K.Journal of medicinal chemistry (Print). 2003, Vol 46, Num 14, pp 2895-2907, issn 0022-2623, 13 p.Article

Rapid Context-Dependent Ligand Desolvation in Molecular DockingMYSINGER, Michael M; SHOICHET, Brian K.Journal of chemical information and modeling. 2010, Vol 50, Num 9, pp 1561-1573, issn 1549-9596, 13 p.Article

Kinase inhibitors: Not just for kinases anymoreMCGOVERN, Susan L; SHOICHET, Brian K.Journal of medicinal chemistry (Print). 2003, Vol 46, Num 8, pp 1478-1483, issn 0022-2623, 6 p.Article

An ultrahigh resolution structure of TEM-1 β-lactamase suggests a role for Glu166 as the general base in acylationMINASOV, George; XIAOJUN WANG; SHOICHET, Brian K et al.Journal of the American Chemical Society. 2002, Vol 124, Num 19, pp 5333-5340, issn 0002-7863Article

Structural basis for imipenem inhibition of class C β-lactamasesBEADLE, Beth M; SHOICHET, Brian K.Antimicrobial agents and chemotherapy. 2002, Vol 46, Num 12, pp 3978-3980, issn 0066-4804, 3 p.Article

A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screeningMCGOVERN, Susan L; CASELLI, Emilia; GRIGORIEFF, Nikolaus et al.Journal of medicinal chemistry (Print). 2002, Vol 45, Num 8, pp 1712-1722, issn 0022-2623Article

Promiscuous Aggregate-Based Inhibitors Promote Enzyme UnfoldingCOAN, Kristin E. D; MALTBY, David A; BURLINGAME, Alma L et al.Journal of medicinal chemistry (Print). 2009, Vol 52, Num 7, pp 2067-2075, issn 0022-2623, 9 p.Article

Structure-based optimization of a non-β-lactam lead results in inhibitors that do not up-regulate β-lactamase expression in cell cultureTONDI, Donatella; MORANDI, Federica; BONNET, Richard et al.Journal of the American Chemical Society. 2005, Vol 127, Num 13, pp 4632-4639, issn 0002-7863, 8 p.Article

Structure-based optimization of cephalothin-analogue boronic acids as β-lactamase inhibitorsMORANDI, Stefania; MORANDI, Federica; CASELLI, Emilia et al.Bioorganic & medicinal chemistry. 2008, Vol 16, Num 3, pp 1195-1205, issn 0968-0896, 11 p.Article

Soft docking and multiple receptor conformations in virtual screeningFERRARI, Anna Maria; WEI, Binqing Q; COSTANTINO, Luca et al.Journal of medicinal chemistry (Print). 2004, Vol 47, Num 21, pp 5076-5084, issn 0022-2623, 9 p.Article

A specific mechanism of nonspecific inhibitionMCGOVERN, Susan L; HELFAND, Brian T; FENG, Brian et al.Journal of medicinal chemistry (Print). 2003, Vol 46, Num 20, pp 4265-4272, issn 0022-2623, 8 p.Article

Identification and prediction of promiscuous aggregating inhibitors among known drugsSEIDLER, James; MCGOVERN, Susan L; DOMAN, Thompson N et al.Journal of medicinal chemistry (Print). 2003, Vol 46, Num 21, pp 4477-4486, issn 0022-2623, 10 p.Article

Structural aspects for evolution of β-lactamases from penicillin-binding proteinsMEROUEH, Samy O; MINASOV, George; WENLIN LEE et al.Journal of the American Chemical Society. 2003, Vol 125, Num 32, pp 9612-9618, issn 0002-7863, 7 p.Article

Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacyVENTURELLI, Alberto; TONDI, Donatella; CANCIAN, Laura et al.Journal of medicinal chemistry (Print). 2007, Vol 50, Num 23, pp 5644-5654, issn 0022-2623, 11 p.Article

Resolution of chiral phosphate, phosphonate, and phosphinate esters by an enantioselective enzyme libraryNOWLAN, Charity; YINGCHUN LI; HERMANN, Johannes C et al.Journal of the American Chemical Society. 2006, Vol 128, Num 49, pp 15892-15902, issn 0002-7863, 11 p.Article

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

Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatBMOTT, Bryan T; FERREIRA, Rafaela S; MCKERROW, James H et al.Journal of medicinal chemistry (Print). 2010, Vol 53, Num 1, pp 52-60, issn 0022-2623, 9 p.Article

Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol ProteaseJADHAV, Ajit; FERREIRA, Rafaela S; KLUMPP, Carleen et al.Journal of medicinal chemistry (Print). 2010, Vol 53, Num 1, pp 37-51, issn 0022-2623, 15 p.Article

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

Divergent Modes of Enzyme Inhibition in a Homologous Structure—Activity SeriesFERREIRA, Rafaela S; BRYANT, Clifford; ANG, Kenny K. H et al.Journal of medicinal chemistry (Print). 2009, Vol 52, Num 16, pp 5005-5008, issn 0022-2623, 4 p.Article

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-LactamaseBABAOGLU, Kerim; SIMEONOV, Anton; INGLESE, James et al.Journal of medicinal chemistry (Print). 2008, Vol 51, Num 8, pp 2502-2511, issn 0022-2623, 10 p.Article