Planarity and out-of-plane vibrational modes of tryptophan and tyrosine in biomolecular modeling
Author:
Affiliation:
1. Department of Chemical Engineering
2. University of Rhode Island
3. Kingston
4. USA
5. Department of Cell and Molecular Biology
Abstract
Vibrations of tryptophan and tyrosine are analyzed to quantify magnitudes of heteroaromatic ring out-of-plane fluctuations in MD of aqueous solutions. Frequencies from normal-mode analysis are compared to experimental data for modified force fields.
Funder
University of Rhode Island
Fulbright Association
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04798K
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