Combined DFT and MD simulation studies of protein stability on imidazolium–water (ImH+Wn) clusters with aromatic amino acids-Reference-Cited by-同舟云学术

Combined DFT and MD simulation studies of protein stability on imidazolium–water (ImH+Wn) clusters with aromatic amino acids

Published:2020 Issue:41 Volume:44 Page:17912-17923
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Palanisamy Kandhan¹²³,Prakash Muthuramalingam¹²³^ORCID,Rajapandian Varatharaj⁴⁵³

Affiliation:

1. Department of Chemistry, Faculty of Engineering and Technology, SRM Institute of Science and Technology, SRM Nagar

2. Kattankulathur-603203

3. India

4. Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science

5. Coimbatore-641020

Abstract

The hydrated clusters of protonated imidazole (ImH⁺) can induce protein denaturation through various kinds of monovalent interactions such as cation···π (stacking), N–H⋯π (T-shaped) and water-mediated O–H⋯O H-bonds.

Funder

Department of Science and Technology, Ministry of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/D0NJ03085F

Reference71 articles.

1. The Anatomy and Taxonomy of Protein Structure

2. Protein Folding: An unfolding story

3. Protein Denaturation

4. Noncovalent Interactions: A Challenge for Experiment and Theory

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