geauxdock.tar.gz
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https://figshare.com/articles/dataset/geauxdock_tar_gz/3205249
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资源简介:
GeauxDock
is an ultra-fast automated docking program, designed to predict how
small ligands bind to pharmacologically relevant macromolecules.
GeauxDock employs a novel hybrid force field, a mixed-resolution
representation of protein-ligand complexes, and a Monte Carlo protocol
for the efficient sampling of conformational space.
创建时间:
2016-04-28



