Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study(394 views visite) Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Keywords Parole chiave: Cyclolinopeptide A, Article, Cis Trans Isomerism, Comparative Study, Computer Simulation, Crystallography, Energy, Hydrogen Bond, Molecule, Priority Journal, Protein Conformation, Temperature, Amino Acid Sequence, Hydrogen Bonding, Linseed Oil, Models, Molecular Sequence Data, Solutions, Structure-Activity Relationship, Support, Non-U.S. Gov, X-Ray Diffraction, Non-U. S. Gov,
Affiliations Affiliazioni: Ctr. Stud. Biocristallografia C.N.R., Dipartimento di Chimica, Univ. Studi di Napoli 'Federico II', via Mezzocannone 4, 80134 Napoli, Italy
References Riferimenti: Not available. Non disponibili.
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study
The conformation of a Cyclolinopeptide A analogue, c-(Pro-Pro-Phe-Phe-Aib- Aib-Ile-D-Ala-Val), has been investigated by means of molecular dynamics simulations, in various molecular environments. The molecular dynamics results are compared with that obtained for Cyclolinopeptide A and a detailed analysis of the different behaviour for the two compounds is reported. A complete analysis of hydrogen bonds is presented.
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study
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