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Molecular dynamics simulation in vacuo and in solution of cyclolinopeptide A: A conformational study

โœ Scribed by Michele Saviano; Misako Aida; Giorgina Corongiu

Publisher
Wiley (John Wiley & Sons)
Year
1991
Tongue
English
Weight
608 KB
Volume
31
Category
Article
ISSN
0006-3525

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โœฆ Synopsis

Abstract

The conformation of cyclolinopeptide A [cโ€(Proโ€Proโ€Pheโ€Pheโ€Leuโ€Ileโ€Ileโ€Leuโ€Val)], a naturally occurring peptide with remarkable cytoprotective activity, has been investigated by means of molecular dynamics simulations in various molecular environments. Structural and dynamical properties have been analyzed and compared with those experimentally determined. A detailed analysis of hydrogen bonds is reported.

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