Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulations-Reference-Cited by-同舟云学术

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Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulations

Published:2023-11 Issue:11 Volume:31 Page:1473-1484.e6
ISSN:0969-2126
Container-title:Structure
language:en
Short-container-title:Structure

Author:

Kienlein Maximilian,Zacharias Martin,Reif Maria M.^ORCID

Funder

Deutsche Forschungsgemeinschaft

Publisher

Elsevier BV

Subject

Molecular Biology,Structural Biology

Reference61 articles.

1. Molecular Biology of the Cell;Alberts,2017

2. Chemical aspects of peptide bond isomerisation;Fischer;Chem. Soc. Rev.,2000

3. Occurrence and role of cis peptide bonds in protein structures;Stewart;J. Mol. Biol.,1990

4. Cis-trans isomerization of omega dihedrals in proteins;Craveur;Amino Acids,2013

5. Acceleration of protein folding by four orders of magnitude through a single amino acid substitution;Roderer;Sci. Rep.,2015

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1. Comprehensive Analysis of Coupled Proline Cis–Trans States in Bradykinin Using ωBP-REMD Simulations;Journal of Chemical Theory and Computation;2024-03-11

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