Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models
Author:
Affiliation:
1. Department of Chemistry
2. Indian Institute of Technology-Delhi
3. New Delhi 110016
4. India
5. Molecular Modeling Laboratory
6. Indian Institute of Technology
7. Kharagpur 721302
Abstract
Trp-cage unfolds at different temperatures in different water models revealing the sensitivity of conformational order metrics to the choice of water models.
Funder
Department of Science and Technology, Ministry of Science and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04634G
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