Eric Martin - Martin, EJ, Sullivan DC, "Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure", J

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      Publication Details (including relevant citation   information): Martin, EJ, Sullivan DC, "Surrogate   AutoShim: Predocking into a Universal Ensemble Kinase Receptor   for Three Dimensional Activity Prediction, Very Quickly, without   a Crystal Structure", J. Chem. Inf. Model, 2008; 48(4); 873-881.   Martin, EJ, Sullivan DC, "AutoShim: Empirically Corrected Scoring   Functions for Quantitative Docking with a Crystal Structure and   IC50 Training Data", J. Chem. Inf. Model; 2008; 48(4); 861-872.   Sullivan DC, Martin, EJ, "Exploiting Structure-Activity   Relationships in Docking", J. Chem. Inf. Model; 2008; 48(4);   817-830. Agrafiotis, DK, Gibbs A, Zhu F, and Martin EJ, "A   Comparative Study of Conformational Sampling",J. Chem. Inf.   Model, 47(3); 1067-1086 (2007). Agrafiotis, DK, Gibbs A, Zhu F,   Izrailev S, and Martin EJ, "Conformational Boosting", Australian   J. Chem., 59(12) 874-878 (2006). Jansen, JM; Martin, EJ,   Target-biased scoring approaches and expert systems in   structure-based virtual screening, Current Opinion in Chemical   Biology, 8(4), 359-364 (2004). Maclean, Derek; Martin, Eric J..   On the representation of combinatorial libraries. Journal of   Combinatorial Chemistry (2004), 6(1), 1-11. Jonathon Mason,   Andrew Good, Eric Martin, "PHARMACOPHORE ELUCIDATION AND THEIR   USE IN DRUG DESIGN: Experimental Structures, Conformational   analysis and 3D QSAR", Current Pharmaceutical Design, ed.   Salvatore Guccione, Curr. Pharm. Des. (2001), 7, 567-597. Martin,   Yvonne C.; Martin, Eric J, Diverse viewpoints on computational   aspects of molecular diversity. J. Comb. Chem. (2001), 3(3),   231-250. William A. Kleschick, L. Navelle Davis, Michael R. Dick,   Joseph R. Garlich, Eric J. Martin, Nailah Orr, Simon C. Ng,   Daniel J. Pernich, S. H. Unger, Gerald B. Watson and Ronald N.   Zuckermann, "The Application of Combinatorial Chemistry in   Agrochemical Discovery", ACS Symposium Series, (2001),   774(Agrochemical Discovery), 205-213.

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