Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins-Reference-Cited by-同舟云学术

Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins

Published:2022-09-01 Issue:36 Volume:126 Page:6868-6877
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Bignucolo Olivier¹²^ORCID,Chipot Christophe³⁴⁵^ORCID,Kellenberger Stephan¹^ORCID,Roux Benoît³⁶^ORCID

Affiliation:

1. Department of Biomedical Sciences, University of Lausanne, 1015 Lausanne, Switzerland

2. SIB Swiss Institute of Bioinformatics, 1015 Lausanne, Switzerland

3. Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois 60637, United States

4. Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana−Champaign, Unité Mixte de Recherche n◦7019, Université de Lorraine, B.P. 70239, 54506 Cedex Vandœuvre-lès-Nancy, France

5. Department of Physics, University of Illinois at Urbana−Champaign, Urbana, Illinois 61820, United States

6. Department of Chemistry, The University of Chicago, 5735 S. Ellis Ave., Chicago, Illinois 60637, United States

Funder

Agence Nationale de la Recherche

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

National Institute of General Medical Sciences

France and Chicago Collaborating in the Sciences

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/acs.jpcb.2c04593

Reference59 articles.

1. Explicit-solvent molecular dynamics simulation at constant pH: Methodology and application to small amines

2. Constant pH Molecular Dynamics with Proton Tautomerism

3. Toward the Accurate First-Principles Prediction of Ionization Equilibria in Proteins

4. Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange

5. Predicting pKa Values with Continuous Constant pH Molecular Dynamics

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