DFT-Based Simulations of Amide I′ IR Spectra of a Small Protein in Solution Using Empirical Electrostatic Map with a Continuum Solvent Model
Author:
Affiliation:
1. Department of Chemistry, University of Wyoming, Laramie, Wyoming 82071, United States
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp305387x
Reference53 articles.
1. What vibrations tell about proteins
2. Vibrational Spectroscopy and Conformation of Peptides, Polypeptides, and Proteins
3. Amide I modes in the N-methylacetamide dimer and glycine dipeptide analog: Diagonal force constants
4. Effects of hydration on the structure, vibrational wavenumbers, vibrational force field and resonance raman intensities ofN-methylacetamide
5. Effects of Intermolecular Hydrogen-Bonding Interactions on the Amide I Mode of N-Methylacetamide: Matrix-Isolation Infrared Studies and ab Initio Molecular Orbital Calculations
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