| 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 | 334 | 2007 |
| 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 | 175 | 2007 |
| Overview: Nucleation of clathrate hydrates P Warrier, MN Khan, V Srivastava, CM Maupin, CA Koh The Journal of chemical physics 145 (21), 2016 | 141 | 2016 |
| 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 | 103 | 2009 |
| 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 | 87 | 2010 |
| 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 | 80 | 2016 |
| Preferred orientations of His64 in human carbonic anhydrase II CM Maupin, GA Voth Biochemistry 46 (11), 2938-2947, 2007 | 79 | 2007 |
| 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 | 74 | 2006 |
| 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 | 73 | 2013 |
| 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 | 71 | 2011 |
| 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 | 52 | 2010 |
| 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 | 44 | 2010 |
| 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 | 43 | 2019 |
| 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 | 43 | 2008 |
| 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 | 41 | 2014 |
| 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 | 41 | 2014 |
| 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 | 40 | 2017 |
| 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 | 36 | 2016 |
| 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 | 34 | 2014 |
| 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 | 33 | 2013 |
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoAdresse e-mail validée de uchicago.edu