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    JCC
    1998
    71views more  JCC 1998»
    Docking small ligands in flexible binding sites
    13 years 4 months ago
    Docking small ligands in flexible binding sites
    Download  www.biochem-caflisch.unizh.ch
    : A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
    Joannis Apostolakis, Andreas Plückthun, Amede...
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    IPPS
    2010
    IEEE
    126views Distributed And Parallel Com...» more  IPPS 2010»
    Parallelization of DQMC simulation for strongly correlated electron systems
    13 years 2 months ago
    Parallelization of DQMC simulation for strongly correlated electron systems
    Download  www.cs.ucdavis.edu
    Abstract--Determinant Quantum Monte Carlo (DQMC) simulation has been widely used to reveal macroscopic properties of strong correlated materials. However, parallelization of the DQ...
    Che-Rung Lee, I-Hsin Chung, Zhaojun Bai
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