A General and Fast Scoring Function for Protein−Ligand Interactions:  A Simplified Potential Approach von Muegge, Ingo, Martin, Yvonne C

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A Bioavailability Score von Martin, Yvonne C

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QSAR Modeling: Where Have You Been? Where Are You Going To? von Cherkasov, Artem, Muratov, Eugene N, Fourches, Denis, Varnek, Alexandre, Baskin, Igor I, Cronin, Mark, Dearden, John, Gramatica, Paola, Martin, Yvonne C, Todeschini, Roberto, Consonni, Viviana, Kuz’min, Victor E, Cramer, Richard, Benigni, Romualdo, Yang, Chihae, Rathman, James, Terfloth, Lothar, Gasteiger, Johann, Richard, Ann, Tropsha, Alexander

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Do Structurally Similar Molecules Have Similar Biological Activity? von Martin, Yvonne C, Kofron, James L, Traphagen, Linda M

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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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A crowdsourcing evaluation of the NIH chemical probes von Oprea, Tudor I, Sklar, Larry A, Bologa, Cristian G, Boyer, Scott, Curpan, Ramona F, Glen, Robert C, Hopkins, Andrew L, Lipinski, Christopher A, Marshall, Garland R, Martin, Yvonne C, Ostopovici-Halip, Liliana, Rishton, Gilbert, Ursu, Oleg, Vaz, Roy J, Waller, Chris, Waldmann, Herbert

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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection von Brown, Robert D, Martin, Yvonne C

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Remembrances of Corwin Hansch von Martin, Yvonne C.

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The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding von Brown, Robert D, Martin, Yvonne C

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Ligand binding to domain-3 of human serum albumin: a chemometric analysis von Hajduk, Philip J, Mendoza, Renaldo, Petros, Andrew M, Huth, Jeffrey R, Bures, Mark, Fesik, Stephen W, Martin, Yvonne C

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

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A giant’s shoulders: a Perspective from Professor Norman L. Allinger von Stouch, Terry R., Martin, Yvonne C.

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Call for papers: Symposium on Tautomers and Biology, American Chemical Society National Meeting, Boston, MA, USA August 2010 von Martin, Yvonne C., Stouch, Terry R.

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Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein von Muegge, Ingo, Martin, Yvonne C, Hajduk, Philip J, Fesik, Stephen W

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3D database searching in drug design von Martin, Yvonne C

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Mechanistic interpretation of the genotoxicity of nitrofurans (antibacterial agents) using quantitative structure-activity relationships and comparative molecular field analysis von Debnath, Asim Kumar, Hansch, Corwin, Kim, Ki H, Martin, Yvonne C

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Designing Combinatorial Library Mixtures Using a Genetic Algorithm von Brown, Robert D, Martin, Yvonne C

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Computational methods in molecular diversity and combinatorial chemistry von Bures, Mark G, Martin, Yvonne C

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Novel 3-Pyridyl Ethers with Subnanomolar Affinity for Central Neuronal Nicotinic Acetylcholine Receptors von Abreo, Melwyn A, Lin, Nan-Horng, Garvey, David S, Gunn, David E, Hettinger, Ann-Marie, Wasicak, James T, Pavlik, Patricia A, Martin, Yvonne C, Donnelly-Roberts, Diana L, Anderson, David J, Sullivan, James P, Williams, Michael, Arneric, Stephen P, Holladay, Mark W

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A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists von Martin, Y C, Bures, M G, Danaher, E A, DeLazzer, J, Lico, I, Pavlik, P A

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