✦ LIBER ✦

David E. Shaw. A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions, Journal of Computational Chemistry (2005)26(13)1318–1328

Publisher: John Wiley and Sons
Year: 2005
Tongue: English
Weight: 36 KB
Volume: 26
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.20331

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✦ Synopsis

Abstract

The original article to which this erratum refers was published in __Journal of Computational Chemistry__J Comput Chem (2005)26(13)1318.

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A fast, scalable method for the parallel

A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions

✍ David E. Shaw 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 231 KB

## Abstract Classical molecular dynamics simulations of biological macromolecules in explicitly modeled solvent typically require the evaluation of interactions between all pairs of atoms separated by no more than some distance __R__, with more distant interactions handled using some less expensive