POSIT: Flexible Shape-Guided Docking For Pose Prediction von Kelley, Brian P, Brown, Scott P, Warren, Gregory L, Muchmore, Steven W

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Molecular Shape and Medicinal Chemistry: A Perspective von Nicholls, Anthony, McGaughey, Georgia B, Sheridan, Robert P, Good, Andrew C, Warren, Gregory, Mathieu, Magali, Muchmore, Steven W, Brown, Scott P, Grant, J. Andrew, Haigh, James A, Nevins, Neysa, Jain, Ajay N, Kelley, Brian

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Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes von Brown, Scott P, Muchmore, Steven W

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Cheminformatic Tools for Medicinal Chemists von Muchmore, Steven W, Edmunds, Jeremy J, Stewart, Kent D, Hajduk, Philip J

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Healthy skepticism: assessing realistic model performance von Brown, Scott P., Muchmore, Steven W., Hajduk, Philip J.

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Synthesis and Evaluation of Benzothiazole-Based Analogues as Novel, Potent, and Selective Fatty Acid Amide Hydrolase Inhibitors von Wang, Xueqing, Sarris, Katerina, Kage, Karen, Zhang, Di, Brown, Scott P, Kolasa, Teodozyi, Surowy, Carol, El Kouhen, Odile F, Muchmore, Steven W, Brioni, Jorge D, Stewart, Andrew O

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A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening von Swann, Steven L, Brown, Scott P, Muchmore, Steven W, Patel, Hetal, Merta, Philip, Locklear, John, Hajduk, Philip J

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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping von Muchmore, Steven W, Debe, Derek A, Metz, James T, Brown, Scott P, Martin, Yvonne C, Hajduk, Philip J

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High-Throughput Calculation of Protein−Ligand Binding Affinities:  Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing von Brown, Scott P, Muchmore, Steven W

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Rapid Estimation of Relative Protein−Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA von Brown, Scott P, Muchmore, Steven W

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X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death von MUCHMORE, S. W, SATTLER, M, NG, S.-C, FESIK, S. W, LIANG, H, MEADOWS, R. P, HARLAN, J. E, YOON, H. S, NETTESHEIM, D, CHANG, B. S, THOMPSON, C. B, WONG, S.-L

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The Use of Three-Dimensional Shape and Electrostatic Similarity Searching in the Identification of a Melanin-Concentrating Hormone Receptor 1 Antagonist von Muchmore, Steven W., Souers, Andrew J., Akritopoulou-Zanze, Irini

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Crystal Structure of the Biphenyl-Cleaving Extradiol Dioxygenase from a PCB-Degrading Pseudomonad von Han, Seungil, Eltis, Lindsay D., Timmis, Kenneth N., Muchmore, Steven W., Bolin, Jeffrey T.

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Frozen out: molecular modeling in the age of cryocrystallography von Martin, Yvonne C., Muchmore, Steven W.

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ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery von Debe, Derek A., Mamidipaka, Ravindra B., Gregg, Robert J., Metz, James T., Gupta, Rishi R., Muchmore, Steven W.

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Corrections to Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes von Brown, Scott P, Muchmore, Steven W

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Crystal Structures of Human Adenosine Kinase Inhibitor Complexes Reveal Two Distinct Binding Modes von Muchmore, Steven W, Smith, Richard A, Stewart, Andrew O, Cowart, Marlon D, Gomtsyan, Arthur, Matulenko, Mark A, Yu, Haixia, Severin, Jean M, Bhagwat, Shripad S, Lee, Chih-Hung, Kowaluk, Elizabeth A, Jarvis, Michael F, Jakob, Clarissa L

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NMR-Driven Discovery of Benzoylanthranilic Acid Inhibitors of Far Upstream Element Binding Protein Binding to the Human Oncogene c-myc Promoter von Huth, Jeffrey R, Yu, Liping, Collins, Irene, Mack, Jamey, Mendoza, Renaldo, Isaac, Binumol, Braddock, Demetrios T, Muchmore, Steven W, Comess, Kenneth M, Fesik, Stephen W, Clore, G. Marius, Levens, David, Hajduk, Philip J

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4-Amino-5-aryl-6-arylethynylpyrimidines: Structure–activity relationships of non-nucleoside adenosine kinase inhibitors von Matulenko, Mark A., Paight, Ernest S., Frey, Robin R., Gomtsyan, Arthur, DiDomenico, Stanley, Jiang, Meiqun, Lee, Chih-Hung, Stewart, Andrew O., Yu, Haixia, Kohlhaas, Kathy L., Alexander, Karen M., McGaraughty, Steve, Mikusa, Joseph, Marsh, Kennan C., Muchmore, Steven W., Jakob, Clarissa L., Kowaluk, Elizabeth A., Jarvis, Michael F., Bhagwat, Shripad S.

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Crystal Structure of ErmC‘, an rRNA Methyltransferase Which Mediates Antibiotic Resistance in Bacteria von Bussiere, Dirksen E, Muchmore, Steven W, Dealwis, Christopher G, Schluckebier, Gerd, Nienaber, Vicki L, Edalji, Rohinton P, Walter, Karl A, Ladror, Uri S, Holzman, Thomas F, Abad-Zapatero, Cele

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