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Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c(3)Phe-NHMe (c(3)Phe= 2,3-methanophenylalanine)

Author
Rodríguez, A.; Canto, J.; Corcho, F.; Perez, J.
Type of activity
Journal article
Journal
Biopolymers
Date of publication
2009
Volume
92
Number
6
First page
518
Last page
524
Repository
http://hdl.handle.net/2117/7536 Open in new window
Abstract
The present report regards a computational study aimed at assessing the conformational profile of the four stereoisomers of the peptide Ace-Pro-c3Phe-NMe, previously reported to exhibit b-turn structures in dichloromethane with different type I/type II b-turn profiles. Molecular systems were represented at the molecular mechanics level using the parm96 parameterization of the AMBER force field. Calculations were carried out in dichloromethane using an implicit solvent approach. Characterization ...
Citation
Rodríguez, A. [et al.]. Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c(3)Phe-NHMe (c(3)Phe= 2,3-methanophenylalanine). "Biopolymers", 2009, vol. 92, núm. 6, p. 518-524.
Group of research
CEBIM - Molecular Biotechnology Centre
ENGMOL - Molecular Engineering

Participants