Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism
Author:
Affiliation:
1. Department of Chemistry; University of Michigan; Ann Arbor Michigan 48109
2. Biophysics Program; University of Michigan; Ann Arbor Michigan 48109
Funder
National Institutes of Health
Interdisciplinary Opportunities in Biophysics REU at the University of Michigan
Publisher
Wiley
Subject
Molecular Biology,Biochemistry,Structural Biology
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/prot.24499/fullpdf
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3. Calculating pKa values in enzyme active sites;Nielsen;Protein Sci,2003
4. Protonation states and pH titration in the photocycle of photoactive yellow protein;Demchuk;Biochemistry,2000
5. Calculations of electrostatic interactions and pKas in the active site of Escherichia coli thioredoxin;Dillet;Biochemistry,1998
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