Thomas A. Darden - researchr alias

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Viewing Publication 1 - 8 from 8

2011

A finite field method for calculating molecular polarizability tensors for arbitrary multipole rankDennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen. jcc, 32(15):3283-3295, 2011. [doi]

2010

Atomic forces for geometry-dependent point multipole and Gaussian multipole modelsDennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen. jcc, 31(15):2702-2713, 2010. [doi]

2002

Predicted solution structure of zymogen human coagulation FVIILalith E. Perera, Thomas A. Darden, Lee G. Pedersen. jcc, 23(1):35-47, 2002. [doi]

2001

Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN methodLeping Li, Clarice R. Weinberg, Thomas A. Darden, Lee G. Pedersen. bioinformatics, 17(12):1131-1142, 2001.

2000

A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700Kholmirzo Kholmurodov, William Smith, Kenji Yasuoka, Thomas A. Darden, Toshikazu Ebisuzaki. jcc, 21(13):1187-1191, 2000. [doi]

1997

Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics ProgramMichael Crowley, Thomas A. Darden, Thomas E. Cheatham III, David W. Deerfield II. tjs, 11(3):255-278, 1997. [doi]

Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics SimulationsThomas A. Darden, Lee G. Pedersen, Abdulnour Toukmaji, Michael Crowley, Thomas Cheatham. ppsc 1997:

1994

Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound ZincDarrin M. York, Lee J. Bartolotti, Thomas A. Darden, Lee G. Pedersen, M. W. Anderson. jcc, 15(1):61-71, 1994.

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