Cohesive properties of the crystalline phases of twenty proteinogenic α-aminoacids from first-principles calculations-Reference-Cited by-同舟云学术

Cohesive properties of the crystalline phases of twenty proteinogenic α-aminoacids from first-principles calculations

Published:2019 Issue:34 Volume:21 Page:18501-18515
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Červinka Ctirad¹²³⁴^ORCID,Fulem Michal¹²³⁴^ORCID

Affiliation:

1. Department of Physical Chemistry

2. University of Chemistry and Technology, Prague

3. CZ-166 28 Prague 6

4. Czech Republic

Abstract

Sublimation enthalpies and proton transfer energies are calculated with a fair accuracy from the first principles for the complete 20 proteinogenic amino acid set.

Funder

Grantová Agentura České Republiky

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/C9CP03102B

Reference122 articles.

1. Current Status of the AMOEBA Polarizable Force Field

2. Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

3. AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids

4. Mode specific THz spectra of solvated amino acids using the AMOEBA polarizable force field

5. Proteogenic Amino Acids: Chiral and Racemic Crystal Packings and Stabilities

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