Christopher Mark Maupin - Publications

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

24 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 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  0.699
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  0.683
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  0.45
2016 Hegde GA, Bharadwaj VS, Kinsinger CL, Schutt TC, Pisierra NR, Maupin CM. Impact of water dilution and cation tail length on ionic liquid characteristics: Interplay between polar and non-polar interactions The Journal of Chemical Physics. 145: 064504. DOI: 10.1063/1.4960511  0.67
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  0.684
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  0.686
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  0.669
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  0.735
2015 Bharadwaj VS, Eagan NM, Wang NM, Liberatore MW, Maupin CM. Inside Cover: Molecular Simulations of Fatty-Acid Methyl Esters and Representative Biodiesel Mixtures (ChemPhysChem 13/2015) Chemphyschem. 16: 2706-2706. DOI: 10.1002/Cphc.201500677  0.653
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  0.639
2014 Sambasivarao SV, Roberts J, Bharadwaj VS, Slingsby JG, Rohleder C, Mallory C, Groome JR, McDougal OM, Maupin CM. Cover Picture: Acetylcholine Promotes Binding of α-Conotoxin MII at α3β2Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014) Chembiochem. 15: 337-337. DOI: 10.1002/Cbic.201490004  0.615
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  0.736
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  0.43
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  0.464
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  0.479
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  0.49
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  0.5
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  0.469
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  0.47
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  0.69
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  0.733
2007 Maupin CM, Voth GA. Preferred orientations of His64 in human carbonic anhydrase II Biochemistry. 46: 2938-2947. PMID 17319695 DOI: 10.1021/Bi062170F  0.439
2007 Fisher SZ, Maupin CM, Budayova-Spano M, Govindasamy L, Tu C, Agbandje-McKenna M, Silverman DN, Voth GA, McKenna R. Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism. Biochemistry. 46: 2930-7. PMID 17319692 DOI: 10.1021/Bi062066Y  0.483
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  0.661
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