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A semantic datagrid for combinatorial chemistry., , , , , and . GRID, page 148-155. IEEE Computer Society, (2005)ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields., , , , , and . J. Chem. Inf. Model., 61 (4): 2026-2047 (2021)Grid Computing, , , , , , , , , and . chapter Combinatorial Chemistry and the Grid, page 945--962. John Wiley & Sons, Ltd, (2003)An analysis of the feasibility of short read sequencing, , , , , , , and . Nucleic Acids Res, 33 (19): e171 (November 2005)The parameterization and validation of generalized born models using the pairwise descreening approximation., , and . J. Comput. Chem., 25 (14): 1760-1770 (2004)Pocket-Space Maps To Identify Novel Binding-Site Conformations in Proteins., , , , and . Journal of Chemical Information and Modeling, 51 (10): 2666-2679 (2011)A Computer-Aided Drug Discovery System for Chemistry Teaching., , , , , and . Journal of Chemical Information and Modeling, 46 (3): 960-970 (2006)Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field., , and . J. Comput. Chem., 37 (32): 2749-2758 (2016)Generation of OPLS-like charges from molecular electrostatic potential using restraints., and . J. Comput. Chem., 20 (5): 483-498 (1999)An Empirical Boundary Potential for Water Droplet Simulations., and . J. Comput. Chem., 16 (8): 951-972 (1995)