[An extension strategy of Discovery Studio 2.0 for non-bonded interaction energy automatic calculation at the residue level].

Abstract

Non-bonded interaction forces play crucial roles in molecular recognition and binding in biological systems. However, it is difficult for traditional methods to automatically calculate and batch the non-bonded energy at the residue level. In recent years, many studies have focused on non-bonded interactions and developed tools to calculate and analyze such… (More)
DOI: 10.3724/SP.J.1141.2011.03262

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