Frequency-Selective Anharmonic Mode Analysis of Thermally Excited Vibrations in Proteins
Author:
Affiliation:
1. School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287, United States
Funder
Division of Chemistry
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01309
Reference47 articles.
1. Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.
2. Harmonic analysis of large systems. I. Methodology
3. Quasi-harmonic method for studying very low frequency modes in proteins
4. Quasi-harmonic method for calculating vibrational spectra from classical simulations on multi-dimensional anharmonic potential surfaces
5. The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum
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