Unravelling the Conformational Dynamics of the Aqueous Alanine Dipeptide with First-Principle Molecular Dynamics
Author:
Affiliation:
1. Université d’Evry val d’Essonne, LAMBE UMR8587 Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, Blvd F. Mitterrand, Bât. Maupertuis, 91025 Evry, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp903745r
Reference23 articles.
1. Solvent-dependent conformational distributions of some dipeptides
2. Structure of the Alanine Dipeptide in Condensed Phases Determined by 13C NMR
3. Conformational Analysis of Alanine Dipeptide from Dipolar Couplings in a Water-Based Liquid Crystal
4. Two-Dimensional Infrared Spectroscopy of the Alanine Dipeptide in Aqueous Solution
5. Temperature and pressure effects on conformational equilibria of alanine dipeptide in aqueous solution
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