73 search results - page 1 / 15 » A parallel algorithm for calculating the potential energy in... |
HICSS
1995
IEEE
13 years 9 months ago
1995
IEEE
The Dreiding force field is a seven-term equation that describes the potential energy in a molecule as a function of the relative positions of bonded atoms and electrostatic inte...
JCC
2007
13 years 5 months ago
2007
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
BMCBI
2010
13 years 5 months ago
2010
Background: Knowledge of transcription factor-DNA binding patterns is crucial for understanding gene transcription. Numerous DNA-binding proteins are annotated as transcription fa...
DNA
2007
Springer
13 years 9 months ago
2007
Springer
Reliable DNA computing requires a large pool of oligonucleotides that do not produce cross-hybridize. In this paper, we present a transformed algorithm to calculate the maximum wei...
ICCS
2003
Springer
13 years 10 months ago
2003
Springer
The problem of computing the electrostatic energy of a large molecule is considered. It is reduced to solving the Poisson equation inside and the linear Poisson-Boltzmann equation ...