A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris-Reference-Cited by-同舟云学术

A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgaris

Published:2017-09-25 Issue:12 Volume:36 Page:3094-3105
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Vorobjev Yury N.¹²³,Scheraga Harold A.³,Vila Jorge A.⁴

Affiliation:

1. Institute of Chemical Biology and Fundamental Medicine of the Siberian Branch of the Russian Academy of Science, Lavrentiev Avenue 8, Novosibirsk 630090, Russia

2. Department of Chemistry, Novosibirsk State University, Novosibirsk 630090, Russia

3. Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA

4. IMASL-CONICET, Universidad Nacional de San Luis, Ejército de Los Andes 950, 5700 San Luis, Argentina

Funder

Agencia Nacional de Promoción Científica y Tecnológica

Consejo Nacional de Investigaciones Científicas y Técnicas

NIH Blueprint for Neuroscience Research

National Science Foundation

US National Institutes of Health

Russian Academy of Sciences

Russian Foundation for Basic Research

Russian Science Foundation

Universidad Nacional de San Luis

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2017.1377636

Reference29 articles.

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2. Electrostatic calculations of side-chain pKa values in myoglobin and comparison with NMR data for histidines

3. pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

4. Protonation of interacting residues in a protein by a Monte Carlo method: application to lysozyme and the photosynthetic reaction center of Rhodobacter sphaeroides.

5. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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