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    JCC
    2000
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    Conformational splitting: A more powerful criterion for dead-end elimination
    13 years 10 months ago
    Conformational splitting: A more powerful criterion for dead-end elimination
    Download  www.piercelab.caltech.edu
    Niles A. Pierce, Jan A. Spriet, J. Desmet, Stephen...
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    JCC
    2000
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    Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
    13 years 10 months ago
    Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
    Download  cola.kaist.ac.kr
    Young Joo Lee, Jae Yeol Maeng, Eok-Kyun Lee, Bongs...
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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 10 months ago
    DFT approach to calculate electronic transfer through a segment of DNA double helix
    Download  www.mpibpc.mpg.de
    Yuan-Jie Ye, Ling-Ling Shen
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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 10 months ago
    A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening
    Download  robotics.stanford.edu
    Steven M. LaValle, Paul W. Finn, Lydia E. Kavraki,...
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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 10 months ago
    Q-Chem 2.0: a high-performance ab initio electronic structure program package
    Download  rsc.anu.edu.au
    Jing Kong, Christopher A. White, Anna I. Krylov, D...
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    JCC
    2000
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    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
    13 years 10 months ago
    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
    Download  ccb.ou.edu
    Jana Khandogin, Anguang Hu, Darrin M. York
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    JCC
    2000
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    Exploring the similarities between potential smoothing and simulated annealing
    13 years 10 months ago
    Exploring the similarities between potential smoothing and simulated annealing
    Download  dasher.wustl.edu
    Reece K. Hart, Rohit V. Pappu, Jay W. Ponder
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    JCC
    2000
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    The molecular modeling toolkit: A new approach to molecular simulations
    13 years 10 months ago
    The molecular modeling toolkit: A new approach to molecular simulations
    Download  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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    JCC
    2000
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    Rapid evaluation of two-center two-electron integrals
    13 years 10 months ago
    Rapid evaluation of two-center two-electron integrals
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    Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. A...
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    JCC
    2000
    48views more  JCC 2000»
    Modal dynamics of proteins in water
    13 years 10 months ago
    Modal dynamics of proteins in water
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    Juan Elezgaray, Yves-Henri Sanejouand
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