Christopher Mark Maupin - Publications

Affiliations: 
chemical and biological engg Colorado School of Mines, Golden, CO, United States 

35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Ta AT, Hegde GA, Etz BD, Baldwin AG, Yang Y, Shafer JC, Jensen MP, Maupin CM, Vyas S. Solvation Dynamics of HEHEHP Ligand at the Liquid-Liquid Interface. The Journal of Physical Chemistry. B. PMID 29756779 DOI: 10.1021/acs.jpcb.8b03165  0.76
2018 Bharadwaj VS, Vyas S, Villano SM, Maupin CM, Dean AM. Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism - a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 20: 9671. PMID 29616253 DOI: 10.1039/c8cp90064g  0.84
2017 Motz AR, Herring AM, Vyas S, Maupin CM. Quantum Mechanical Study of the Reaction Mechanism for 2π-2π Cycloaddition of Fluorinated Methylene Groups. The Journal of Organic Chemistry. PMID 28548848 DOI: 10.1021/acs.joc.7b00597  0.76
2017 Saqib N, Silva CJ, Maupin CM, Porter JM. A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes. Applied Spectroscopy. 3702816684638. PMID 28145749 DOI: 10.1177/0003702816684638  0.32
2017 Schutt TC, Hegde GA, Bharadwaj VS, Johns AJ, Maupin CM. Impact of Water-Dilution on the Biomass Solvation Properties of the Ionic Liquid 1-Methyltriethoxy-3-Ethylimidazolium Acetate. The Journal of Physical Chemistry. B. PMID 28072540 DOI: 10.1021/acs.jpcb.6b09101  0.84
2016 Taraphder S, Maupin CM, Swanson JM, Voth GA. Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II. The Journal of Physical Chemistry. B. PMID 27063577 DOI: 10.1021/acs.jpcb.6b02166  1
2016 Slingsby JG, Rorrer NA, Krishna L, Toberer ES, Koh CA, Maupin CM. Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates. Physical Chemistry Chemical Physics : Pccp. 18: 5121-8. PMID 26658349 DOI: 10.1039/c5cp06066d  0.68
2016 Slingsby JG, Rorrer NA, Krishna L, Toberer ES, Koh CA, Maupin CM. Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates Physical Chemistry Chemical Physics. 18: 5121-5128. DOI: 10.1039/c5cp06066d  1
2015 Bharadwaj VS, Eagan NM, Wang NM, Liberatore MW, Maupin CM. Molecular Simulations of Fatty-Acid Methyl Esters and Representative Biodiesel Mixtures. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26275573 DOI: 10.1002/cphc.201500453  1
2015 Schutt TC, Bharadwaj VS, Granum DM, Maupin CM. The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B. Physical Chemistry Chemical Physics : Pccp. 17: 16947-58. PMID 26061383 DOI: 10.1039/c5cp01801c  1
2015 Bharadwaj VS, Schutt TC, Ashurst TC, Maupin CM. Elucidating the conformational energetics of glucose and cellobiose in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 17: 10668-78. PMID 25806620 DOI: 10.1039/c5cp00118h  1
2015 Bharadwaj VS, Vyas S, Villano SM, Maupin CM, Dean AM. Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism--a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 17: 4054-66. PMID 25566585 DOI: 10.1039/c4cp04317k  1
2015 Slingsby JG, Vyas S, Maupin CM. A charge-modified general amber force field for phospholipids: Improved structural properties in the tensionless ensemble Molecular Simulation. 41: 1449-1458. DOI: 10.1080/08927022.2014.985675  1
2015 Kinsinger CL, Liu Y, Liu F, Yang Y, Seifert S, Knauss DM, Herring AM, Maupin CM. Random and Block Sulfonated Polyaramides as Advanced Proton Exchange Membranes Journal of Physical Chemistry C. 119: 24724-24732. DOI: 10.1021/acs.jpcc.5b06857  1
2014 Vyas S, Dreyer C, Slingsby J, Bicknase D, Porter JM, Maupin CM. Electronic structure and spectroscopic analysis of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ion pair. The Journal of Physical Chemistry. A. 118: 6873-82. PMID 25083824 DOI: 10.1021/jp5035689  1
2014 Aggarwal M, Kondeti B, Tu C, Maupin CM, Silverman DN, McKenna R. Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. Iucrj. 1: 129-35. PMID 25075329 DOI: 10.1107/S2052252514004096  1
2014 Granum DM, Schutt TC, Maupin CM. Computational evaluation of the dynamic fluctuations of peripheral loops enclosing the catalytic tunnel of a family 7 cellobiohydrolase. The Journal of Physical Chemistry. B. 118: 5340-9. PMID 24669967 DOI: 10.1021/jp5011555  0.8
2014 Sambasivarao SV, Roberts J, Bharadwaj VS, Slingsby JG, Rohleder C, Mallory C, Groome JR, McDougal OM, Maupin CM. Acetylcholine promotes binding of α-conotoxin MII at α3 β2 nicotinic acetylcholine receptors. Chembiochem : a European Journal of Chemical Biology. 15: 413-24. PMID 24420650 DOI: 10.1002/cbic.201300577  1
2014 McDougal OM, Cornia N, Sambasivarao SV, Remm A, Mallory C, Oxford JT, Maupin CM, Andersen T. Homology modeling and molecular docking for the science curriculum. Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology. 42: 179-82. PMID 24376157 DOI: 10.1002/bmb.20767  1
2014 Granum DM, Vyas S, Sambasivarao SV, Maupin CM. Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase. The Journal of Physical Chemistry. B. 118: 434-48. PMID 24359013 DOI: 10.1021/jp408536s  1
2014 Liu Y, Sambasivarao SV, Horan JL, Yang Y, Maupin CM, Herring AM. A combined theoretical and experimental investigation of the transport properties of water in a perfluorosulfonic acid proton exchange membrane doped with the heteropoly acids, H3PW12O40 or H 4SiW12O40 Journal of Physical Chemistry C. 118: 854-863. DOI: 10.1021/jp4099232  1
2014 Sambasivarao SV, Liu Y, Horan JL, Seifert S, Herring AM, Maupin CM. Enhancing proton transport and membrane lifetimes in perfluorosulfonic acid proton exchange membranes: A combined computational and experimental evaluation of the structure and morphology changes due to H3PW12O40 doping Journal of Physical Chemistry C. 118: 20193-20202.  1
2013 Bharadwaj VS, Dean AM, Maupin CM. Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study. Journal of the American Chemical Society. 135: 12279-88. PMID 23865732 DOI: 10.1021/ja404842r  1
2013 Choi TH, Liang R, Maupin CM, Voth GA. Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions. The Journal of Physical Chemistry. B. 117: 5165-79. PMID 23566052 DOI: 10.1021/jp400953a  1
2013 McDougal OM, Granum DM, Swartz M, Rohleder C, Maupin CM. pKa determination of histidine residues in α-conotoxin MII peptides by 1H NMR and constant pH molecular dynamics simulation. The Journal of Physical Chemistry. B. 117: 2653-61. PMID 23336579 DOI: 10.1021/jp3117227  1
2011 Maupin CM, Castillo N, Taraphder S, Tu C, McKenna R, Silverman DN, Voth GA. Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II. Journal of the American Chemical Society. 133: 6223-34. PMID 21452838 DOI: 10.1021/ja1097594  1
2010 Knight C, Maupin CM, Izvekov S, Voth GA. Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton. Journal of Chemical Theory and Computation. 6: 3223-32. PMID 26616784 DOI: 10.1021/ct1004438  1
2010 Maupin CM, Aradi B, Voth GA. The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations. The Journal of Physical Chemistry. B. 114: 6922-31. PMID 20426461 DOI: 10.1021/jp1010555  1
2010 Maupin CM, Voth GA. Proton transport in carbonic anhydrase: Insights from molecular simulation. Biochimica Et Biophysica Acta. 1804: 332-41. PMID 19765680 DOI: 10.1016/j.bbapap.2009.09.006  1
2009 Maupin CM, Zheng J, Tu C, McKenna R, Silverman DN, Voth GA. Effect of active-site mutation at Asn67 on the proton transfer mechanism of human carbonic anhydrase II. Biochemistry. 48: 7996-8005. PMID 19634894 DOI: 10.1021/bi901037u  1
2009 Maupin CM, McKenna R, Silverman DN, Voth GA. Elucidation of the proton transport mechanism in human carbonic anhydrase II. Journal of the American Chemical Society. 131: 7598-608. PMID 19438233 DOI: 10.1021/ja8091938  1
2008 Maupin CM, Saunders MG, Thorpe IF, McKenna R, Silverman DN, Voth GA. Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase II. Journal of the American Chemical Society. 130: 11399-408. PMID 18671353 DOI: 10.1021/ja802264j  1
2007 Swanson JM, Maupin CM, Chen H, Petersen MK, Xu J, Wu Y, Voth GA. Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations. The Journal of Physical Chemistry. B. 111: 4300-14. PMID 17429993 DOI: 10.1021/jp070104x  1
2007 Maupin CM, Voth GA. Preferred orientations of His64 in human carbonic anhydrase II Biochemistry. 46: 2938-2947. PMID 17319695 DOI: 10.1021/bi062170f  1
2006 Maupin CM, Wong KF, Soudackov AV, Kim S, Voth GA. A multistate empirical valence bond description of protonatable amino acids. The Journal of Physical Chemistry. A. 110: 631-9. PMID 16405335 DOI: 10.1021/jp053596r  1
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