Benchmarking Rapid TLES Simulations of Gas Diffusion in Proteins: Mapping O2 Migration and Escape in Myoglobin as a Case Study-Reference-Cited by-同舟云学术

Benchmarking Rapid TLES Simulations of Gas Diffusion in Proteins: Mapping O2 Migration and Escape in Myoglobin as a Case Study

Published:2016-03-14 Issue:4 Volume:12 Page:2038-2046
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Shadrina Maria S.¹,English Ann M.¹,Peslherbe Gilles H.¹

Affiliation:

1. Centre for Research in Molecular Modeling (CERMM) and Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montréal, Québec, Canada H4B 1R6

Funder

Fonds de Recherche du Québec - Nature et Technologies

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01132

Reference79 articles.

1. InMethods Enzymol.;Robert, K. P., Ed.Academic Press: 2008; Vol.437, pp1–655.

2. InMethods Enzymol.;Robert, K. P., Ed.Academic Press: 2008; Vol.436, pp1–622.

3. Nitric oxide and iron proteins

4. O2 Migration Pathways Are Not Conserved across Proteins of a Similar Fold

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