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Sampling of molecular conformations by molecular dynamics techniques

โœ Scribed by Depaepe, J.-M.; Ryckaert, J.-P.; Paci, E.; Ciccotti, G.

Book ID
118066117
Publisher
Taylor and Francis Group
Year
1993
Tongue
English
Weight
527 KB
Volume
79
Category
Article
ISSN
0026-8976

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## Abstract We investigate the application of torsion angle molecular dynamics (TAMD) to augment conformational sampling of peptides and proteins. Interesting conformational changes in proteins mainly involve torsional degrees of freedom. Carrying out molecular dynamics in torsion space does not on