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Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods.

, , , , , and . J. Chem. Inf. Model., 54 (8): 2185-2189 (2014)

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Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods., , , , , and . J. Chem. Inf. Model., 54 (8): 2185-2189 (2014)Geometric Manipulation of Flexible Ligands., , , , , , and . WACG, volume 1148 of Lecture Notes in Computer Science, page 67-78. Springer, (1996)Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension., , , and . J. Comput. Aided Mol. Des., 25 (8): 785-790 (2011)Structure-guided selection of Specificity Determining Positions in the human kinome., , and . BIBM, page 21-28. IEEE Computer Society, (2015)RAPID: Randomized Pharmacophore Identification for Drug Design., , , , , , and . SCG, page 324-333. ACM, (1997)Efficient database screening for rational drug design using pharmacophore-constrained conformational search., , , and . RECOMB, page 250-260. ACM, (1999)Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL, , , and . Machine Learning, 30 (2-3): 241-270 (1998)Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1., , , , and . Journal of Chemical Information and Modeling, 53 (3): 573-583 (2013)RAPID: Randomized pharmacophore identification for drug design, , , , , , and . Comput. Geom., 10 (4): 263--272 (1998)Earlier version in SOCG'97.