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29
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JCC
2000
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JCC 2000
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Conformational splitting: A more powerful criterion for dead-end elimination
13 years 11 months ago
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www.piercelab.caltech.edu
Niles A. Pierce, Jan A. Spriet, J. Desmet, Stephen...
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24
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JCC
2000
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JCC 2000
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Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
13 years 11 months ago
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cola.kaist.ac.kr
Young Joo Lee, Jae Yeol Maeng, Eok-Kyun Lee, Bongs...
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27
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JCC
2000
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JCC 2000
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DFT approach to calculate electronic transfer through a segment of DNA double helix
13 years 11 months ago
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www.mpibpc.mpg.de
Yuan-Jie Ye, Ling-Ling Shen
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18
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JCC
2000
49
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JCC 2000
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A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening
13 years 11 months ago
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robotics.stanford.edu
Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki,...
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17
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JCC
2000
33
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JCC 2000
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Q-Chem 2.0: a high-performance ab initio electronic structure program package
13 years 11 months ago
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rsc.anu.edu.au
Jing Kong, Christopher A. White, Anna I. Krylov, D...
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28
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JCC
2000
46
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JCC 2000
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Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
13 years 11 months ago
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ccb.ou.edu
Jana Khandogin, Anguang Hu, Darrin M. York
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18
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JCC
2000
47
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JCC 2000
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Exploring the similarities between potential smoothing and simulated annealing
13 years 11 months ago
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dasher.wustl.edu
Reece K. Hart, Rohit V. Pappu, Jay W. Ponder
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32
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JCC
2000
66
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JCC 2000
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The molecular modeling toolkit: A new approach to molecular simulations
13 years 11 months ago
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dirac.cnrs-orleans.fr
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
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14
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JCC
2000
38
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JCC 2000
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Rapid evaluation of two-center two-electron integrals
13 years 11 months ago
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rsc.anu.edu.au
Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. A...
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23
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JCC
2000
48
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JCC 2000
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Modal dynamics of proteins in water
13 years 11 months ago
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yh.sanejouand.com
Juan Elezgaray, Yves-Henri Sanejouand
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