The Properties of Known Drugs. 1. Molecular Frameworks von Bemis, Guy W, Murcko, Mark A

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Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules? von Ajay, Walters, W. Patrick, Murcko, Mark A

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Consensus Scoring:  A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins von Charifson, Paul S, Corkery, Joseph J, Murcko, Mark A, Walters, W. Patrick

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Properties of Known Drugs. 2. Side Chains von Bemis, Guy W, Murcko, Mark A

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Computational Methods to Predict Binding Free Energy in Ligand-Receptor Complexes von Murcko, Mark A

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Designing Libraries with CNS Activity von Ajay, Bemis, Guy W, Murcko, Mark A

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Crystal Structure of the Hepatitis C Virus NS3 Protease Domain Complexed with a Synthetic NS4A Cofactor Peptide von Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A

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Structure and mechanism of interleukin-1β converting enzyme von WILSON, K. P, BLACK, J.-A. F, LIVINGSTON, D. J, THOMSON, J. A, KIM, E. E, GRIFFITH, J. P, NAVIA, M. A, MURCKO, M. A, CHAMBERS, S. P, ALDAPE, R. A, RAYBUCK, S. A

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Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme von Kim, E. E, Baker, C. T, Dwyer, M. D, Murcko, M. A, Rao, B. G, Tung, R. D, Navia, M. A

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Bovine viral diarrhea virus NS3 serine proteinase: polyprotein cleavage sites, cofactor requirements, and molecular model of an enzyme essential for pestivirus replication von Xu, J, Mendez, E, Caron, P R, Lin, C, Murcko, M A, Collett, M S, Rice, C M

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Recognizing molecules with drug-like properties von Walters, W Patrick, Murcko, Ajay A, Murcko, Mark A

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Virtual screening : an overview von WALTERS, W. P, STAHL, M. T, MURCKO, M. A

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CONCERTS:  Dynamic Connection of Fragments as an Approach to de Novo Ligand Design von Pearlman, David A, Murcko, Mark A

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Charged surface residues of FKBP12 participate in formation of the FKBP12-FK506-calcineurin complex von ALDAPE, RA, FUTER, O, DECENZO, MT, JARRETT, BP, MURCKO, MA, LIVINGSTON, DJ

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Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding von Kim, Joseph L, Morgenstern, Kurt A, Griffith, James P, Dwyer, Maureen D, Thomson, John A, Murcko, Mark A, Lin, Chao, Caron, Paul R

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Evidence for the Direct Involvement of the Rhinovirus Canyon in Receptor Binding von Colonno, Richard J., Condra, Jon H., Mizutani, Satoshi, Callahan, Pia L., Davies, Mary-Ellen, Murcko, Mark A.

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Structure and Mechanism of Inosine Monophosphate Dehydrogenase in Complex with the Immunosuppressant Mycophenolic Acid von Sintchak, Michael D., Fleming, Mark A., Futer, Olga, Raybuck, Scott A., Chambers, Stephen P., Caron, Paul R., Murcko, Mark A., Wilson, Keith P.

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Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma von Baldwin, John J, Ponticello, Gerald S, Anderson, Paul S, Christy, Marcia E, Murcko, Mark A, Randall, William C, Schwam, Harvey, Sugrue, Michael F, Gautheron, Pierre

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Free energy perturbation studies on binding of A-74704 and its diester analog to HIV-1 protease von Rao, B.G., Murcko, M.A.

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Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin von Wilson, K. P., Yamashita, M. M., Sintchak, M. D., Rotstein, S. H., Murcko, M. A., Boger, J., Thomson, J. A., Fitzgibbon, M. J., Black, J. R., Navia, M. A.

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