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C Mark Maupin
C Mark Maupin
Verifierad e-postadress på pnnl.gov
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Proton solvation and transport in aqueous and biomolecular systems: Insights from computer simulations
JMJ Swanson, CM Maupin, H Chen, MK Petersen, J Xu, Y Wu, GA Voth
The Journal of Physical Chemistry B 111 (17), 4300-4314, 2007
3242007
Atomic Crystal and Molecular Dynamics Simulation Structures of Human Carbonic Anhydrase II:  Insights into the Proton Transfer Mechanism,
SZ Fisher, CM Maupin, M Budayova-Spano, L Govindasamy, C Tu, ...
Biochemistry 46 (11), 2930-2937, 2007
1722007
Overview: Nucleation of clathrate hydrates
P Warrier, MN Khan, V Srivastava, CM Maupin, CA Koh
The Journal of chemical physics 145 (21), 2016
1242016
Elucidation of the proton transport mechanism in human carbonic anhydrase II
CM Maupin, R McKenna, DN Silverman, GA Voth
Journal of the American Chemical Society 131 (22), 7598-7608, 2009
1002009
The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations
CM Maupin, B Aradi, GA Voth
The Journal of Physical Chemistry B 114 (20), 6922-6931, 2010
872010
Anion exchange membranes composed of a poly (2, 6-dimethyl-1, 4-phenylene oxide) random copolymer functionalized with a bulky phosphonium cation
Y Liu, B Zhang, CL Kinsinger, Y Yang, S Seifert, Y Yan, CM Maupin, ...
Journal of membrane science 506, 50-59, 2016
792016
Preferred orientations of His64 in human carbonic anhydrase II
CM Maupin, GA Voth
Biochemistry 46 (11), 2938-2947, 2007
752007
Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions
TH Choi, R Liang, CM Maupin, GA Voth
The Journal of Physical Chemistry B 117 (17), 5165-5179, 2013
712013
Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II
CM Maupin, N Castillo, S Taraphder, C Tu, R McKenna, DN Silverman, ...
Journal of the American Chemical Society 133 (16), 6223-6234, 2011
692011
A multistate empirical valence bond description of protonatable amino acids
CM Maupin, KF Wong, AV Soudackov, S Kim, GA Voth
The Journal of Physical Chemistry A 110 (2), 631-639, 2006
682006
Defining condensed phase reactive force fields from ab initio molecular dynamics simulations: The case of the hydrated excess proton
C Knight, CM Maupin, S Izvekov, GA Voth
Journal of Chemical Theory and Computation 6 (10), 3223-3232, 2010
532010
Proton transport in carbonic anhydrase: Insights from molecular simulation
CM Maupin, GA Voth
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1804 (2), 332-341, 2010
422010
Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase II
CM Maupin, MG Saunders, IF Thorpe, R McKenna, DN Silverman, ...
Journal of the American Chemical Society 130 (34), 11399-11408, 2008
412008
Electronic structure and spectroscopic analysis of 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide ion pair
S Vyas, C Dreyer, J Slingsby, D Bicknase, JM Porter, CM Maupin
The Journal of Physical Chemistry A 118 (34), 6873-6882, 2014
392014
Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles
M Aggarwal, B Kondeti, C Tu, CM Maupin, DN Silverman, R McKenna
IUCrJ 1 (2), 129-135, 2014
392014
Transport and morphology of a proton exchange membrane based on a doubly functionalized perfluorosulfonic imide side chain perflourinated polymer
A Kusoglu, K Vezzù, GA Hegde, G Nawn, AR Motz, HN Sarode, ...
Chemistry of Materials 32 (1), 38-59, 2019
372019
A novel optical diagnostic for in situ measurements of lithium polysulfides in battery electrolytes
N Saqib, CJ Silva, CM Maupin, JM Porter
Applied Spectroscopy 71 (7), 1593-1599, 2017
362017
Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study
VS Bharadwaj, AM Dean, CM Maupin
Journal of the American Chemical Society 135 (33), 12279-12288, 2013
332013
Coupling protein dynamics with proton transport in human carbonic anhydrase II
S Taraphder, CM Maupin, JMJ Swanson, GA Voth
The Journal of Physical Chemistry B 120 (33), 8389-8404, 2016
322016
A combined theoretical and experimental investigation of the transport properties of water in a perfluorosulfonic acid proton exchange membrane doped with the heteropoly acids …
Y Liu, SV Sambasivarao, JL Horan, Y Yang, CM Maupin, AM Herring
The Journal of Physical Chemistry C 118 (2), 854-863, 2014
302014
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Artiklar 1–20