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Journal of Computational Chemistry|March 10, 2011
Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computersBarbara Collignon, Roland Schulz, Jeremy C Smith, et al.
Physical Chemistry Chemical Physics : PCCP|November 26, 2008
Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sitesSylvain Picaud, Barbara Collignon, Paul N M Hoang, et al.
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