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    JCC
    2000
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    Conformational splitting: A more powerful criterion for dead-end elimination
    15 years 2 months ago
    Conformational splitting: A more powerful criterion for dead-end elimination
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    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
    15 years 2 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
    15 years 2 months ago
    DFT approach to calculate electronic transfer through a segment of DNA double helix
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    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
    15 years 2 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
    15 years 2 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
    15 years 2 months ago
    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization
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    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
    15 years 2 months ago
    Exploring the similarities between potential smoothing and simulated annealing
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    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
    15 years 2 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
    15 years 2 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
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    Modal dynamics of proteins in water
    15 years 2 months ago
    Modal dynamics of proteins in water
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    Juan Elezgaray, Yves-Henri Sanejouand
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