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The need for scientific software engineering in the pharmaceutical industry., and . J. Comput. Aided Mol. Des., 31 (3): 301-304 (2017)Lattice-sum methods for calculating electrostatic interactions in molecular simulations, , and . J. Chem. Phys, 103 (8): 3014--21 (August 1995)The Pfizer Crystal Structure Database: An essential tool for structure-based design at Pfizer., , , , , and . J. Comput. Chem., 43 (15): 1053-1062 (2022)Deciphering common failures in molecular docking of ligand-protein complexes., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 14 (8): 731-751 (2000)Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program, , , , , , , , , and 1 other author(s). Comput. Phys. Commun., 91 (1-3): 57--95 (September 1995)Thermodynamics and Kinetics of Ligand-Protein Binding Studied with the Weighted Histogram Analysis Method and Simulated Annealing., , , , , , , , , and . Pacific Symposium on Biocomputing, page 426-437. (1999)A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions., , , , , and . J. Comput. Chem., 16 (4): 454-464 (1995)