Residue Specific Interaction of an Unfolded Protein with Solvents in Mixed Water–Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study
Author:
Affiliation:
1. Molecular Simulation Laboratory, Department of Chemistry, National Institute of Technology, Rourkela 769008, India
2. Theoretical Chemistry Laboratory, Department of Chemistry, National Institute of Technology, Rourkela 769008, India
Funder
Science and Engineering Research Board
Department of Science and Technology, Ministry of Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b05955
Reference47 articles.
1. NMR studies on thermal stability of α-helix conformation of melittin in pure ethanol and ethanol-water mixture solvents
2. On the solvent role in alcohol-induced α-helix formation of chymotrypsin inhibitor 2
3. Solvation Phenomena of a Tetrapeptide in Water/Trifluoroethanol and Water/Ethanol Mixtures: A Diffusion NMR, Intermolecular NOE, and Molecular Dynamics Study
4. Unfolding Action of Alcohols on a Highly Negatively Charged State of Cytochrome c
5. Differential Effects of Alcohols on Conformational Switchovers in α-Helical and β-Sheet Protein Models
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