Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model-Reference-Cited by-同舟云学术

Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model

Published:2014 Issue:21 Volume:16 Page:10199-10213
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nayar Divya¹²³,Chakravarty Charusita¹²³

Affiliation:

1. Department of Chemistry

2. Indian Institute of Technology-Delhi

3. New Delhi: 110016, India

Abstract

Secondary structural preferences of the beta-hairpin of the 2GB1 protein in the folded and unfolded ensembles are shown to be sensitive to the choice of water model.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP55147D

Reference88 articles.

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3. Hydration Processes in Biology , ed. M.-C. Bellissent-Funel , IOS Press , Amsterdam, The Netherlands , 1999

4. Water Dynamics in the Hydration Layer around Proteins and Micelles

5. Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems

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