Theoretical studies of the structure and molecular dynamics of a peptide crystal

Energy minimizations and molecular dynamics simulations have been performed on the cyclic peptide cyclo-(Ala-Pro-D-Phe)2 in both the isolated and crystal states. The results of these calculations have been analyzed, both to investigate our ability to reproduce experimental data (structure and vibrat...

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Veröffentlicht in:	Biochemistry (Easton) 1988-07, Vol.27 (14), p.5246-5257
Hauptverfasser:	Kitson, David H, Hagler, Arnold T
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological and medical sciences Crystallization Fundamental and applied biological sciences. Psychology Magnetic Resonance Spectroscopy Models, Molecular Molecular biophysics Peptides Phenylalanine Protein Conformation proteins Spectrophotometry Structure in molecular biology Tridimensional structure
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