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Biochemistry|June 28, 2006
Electrostatic environment of hemes in proteins: pK(a)s of hydroxyl ligandsYifan Song, Junjun Mao, M R GunnerJournal of Computational Chemistry|March 11, 2009
MCCE2: improving protein pKa calculations with extensive side chain rotamer samplingYifan Song, Junjun Mao, M R GunnerBiochemistry|August 20, 2003
Calculation of proton transfers in Bacteriorhodopsin bR and M intermediatesYifan Song, Junjun Mao, M R GunnerBiochimica Et Biophysica Acta|August 15, 2006
Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculationsM R Gunner, Junjun Mao, Yifan Song, et al.Biochemistry|August 20, 2003
How cytochromes with different folds control heme redox potentialsJunjun Mao, Karin Hauser, M R GunnerJournal of Molecular Biology|April 28, 2005
Are acidic and basic groups in buried proteins predicted to be ionized?Jinrang Kim, Junjun Mao, M R GunnerProceedings of the National Academy of Sciences of the United States of America|November 2, 2014
Halorhodopsin pumps Cl- and bacteriorhodopsin pumps protons by a common mechanism that uses conserved electrostatic interactionsYifan Song, M R GunnerJournal of Molecular Biology|April 3, 2009
Using multiconformation continuum electrostatics to compare chloride binding motifs in alpha-amylase, human serum albumin, and Omp32Yifan Song, M R GunnerThe Journal of Physical Chemistry. B|March 28, 2022
Characterizing Protein Protonation Microstates Using Monte Carlo SamplingUmesh Khaniya, Junjun Mao, Rongmei Judy Wei, et al.Biochemistry|June 28, 2006
Calculated proton uptake on anaerobic reduction of cytochrome C oxidase: is the reaction electroneutral?Yifan Song, Ekaterina Michonova-Alexova, M R GunnerPageof 27