Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field-Reference-Cited by-同舟云学术

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field

Published:2010-01-29 Issue:3 Volume:6 Page:774-786
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yu Haibo¹,Whitfield Troy W.¹,Harder Edward¹,Lamoureux Guillaume¹,Vorobyov Igor¹,Anisimov Victor M.¹,MacKerell Alexander D.¹,Roux Benoît¹

Affiliation:

1. Department of Biochemistry and Molecular Biology, The University of Chicago, 929 East 57th Street, Chicago, Illinois 60637, Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60649, Department of Chemistry and Biochemistry, Concordia University, Montréal, Québec, H4B 1R6, Canada, and Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900576a

Reference98 articles.

1. Role of Na+and K+in Enzyme Function

2. Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins

3. Evolution of binding sites for zinc and calcium ions playing structural roles

4. Structure of the gating domain of a Ca2+-activated K+ channel complexed with Ca2+/calmodulin

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