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JCC
2000
49views more  JCC 2000»
13 years 11 months ago
Conformational splitting: A more powerful criterion for dead-end elimination
Niles A. Pierce, Jan A. Spriet, J. Desmet, Stephen...
JCC
2000
43views more  JCC 2000»
13 years 11 months ago
Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
Young Joo Lee, Jae Yeol Maeng, Eok-Kyun Lee, Bongs...
JCC
2000
33views more  JCC 2000»
13 years 11 months ago
Q-Chem 2.0: a high-performance ab initio electronic structure program package
Jing Kong, Christopher A. White, Anna I. Krylov, D...
JCC
2000
47views more  JCC 2000»
13 years 11 months ago
Exploring the similarities between potential smoothing and simulated annealing
Reece K. Hart, Rohit V. Pappu, Jay W. Ponder
JCC
2000
66views more  JCC 2000»
13 years 11 months ago
The molecular modeling toolkit: A new approach to molecular simulations
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
Konrad Hinsen
JCC
2000
38views more  JCC 2000»
13 years 11 months ago
Rapid evaluation of two-center two-electron integrals
Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. A...
JCC
2000
48views more  JCC 2000»
13 years 11 months ago
Modal dynamics of proteins in water
Juan Elezgaray, Yves-Henri Sanejouand