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Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations., , , , and . PPSC, SIAM, (1997)A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank., , , , and . J. Comput. Chem., 32 (15): 3283-3295 (2011)Atomic forces for geometry-dependent point multipole and Gaussian multipole models., , , , and . J. Comput. Chem., 31 (15): 2702-2713 (2010)Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method., , , and . Bioinform., 17 (12): 1131-1142 (2001)Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program., , , and . J. Supercomput., 11 (3): 255-278 (1997)Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc., , , , and . J. Comput. Chem., 15 (1): 61-71 (1994)A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700., , , , and . J. Comput. Chem., 21 (13): 1187-1191 (2000)Predicted solution structure of zymogen human coagulation FVII., , and . J. Comput. Chem., 23 (1): 35-47 (2002)