C. M. Maupin

发表

A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes

J. Porter, N. Saqib, C. J. Silva, 2017, Applied spectroscopy.

Electronic structure and spectroscopic analysis of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ion pair.

C. Dreyer, J. Porter, C. M. Maupin, 2014, The journal of physical chemistry. A.

Acetylcholine Promotes Binding of α‐Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors

Owen M. McDougal, Vivek S. Bharadwaj, C. M. Maupin, 2014, Chembiochem : a European journal of chemical biology.

Identifying the Enzymatic Mode of Action for Cellulase Enzymes by Means of Docking Calculations and a Machine Learning Algorithm

C. M. Maupin, S. V. Sambasivarao, David M Granum, 2014 .

Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study.

Vivek S. Bharadwaj, A. Dean, C. M. Maupin, 2013, Journal of the American Chemical Society.

Quantum-Mechanical Study of the Reaction Mechanism for 2π-2π Cycloaddition of Fluorinated Methylene Groups.

Andrew R. Motz, A. Herring, C. M. Maupin, 2017, The Journal of organic chemistry.

Overview: Nucleation of clathrate hydrates.

M. N. Khan, C. Koh, C. M. Maupin, 2016, The Journal of chemical physics.

Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules

C. M. Maupin, Delin Sun, S. Fox, 2022, Membranes.

The impact of alkyl tri‐methyl ammonium side chains on perfluorinated ionic membranes for electrochemical applications

Andrew R. Motz, B. Pivovar, A. Herring, 2019, Journal of Polymer Science Part B: Polymer Physics.

The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.

Bálint Aradi, Gregory A Voth, C Mark Maupin, 2010, The journal of physical chemistry. B.

A charge-modified general amber force field for phospholipids: improved structural properties in the tensionless ensemble

C. M. Maupin, Shubham Vyas, J. Slingsby, 2015 .

Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations.

Jessica M J Swanson, Gregory A Voth, C Mark Maupin, 2007, The journal of physical chemistry. B.

Molecular Simulations of Fatty-Acid Methyl Esters and Representative Biodiesel Mixtures.

Vivek S. Bharadwaj, M. Liberatore, C. M. Maupin, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Elucidation of the proton transport mechanism in human carbonic anhydrase II.

G. Voth, D. Silverman, R. McKenna, 2009, Journal of the American Chemical Society.

Effect of active-site mutation at Asn67 on the proton transfer mechanism of human carbonic anhydrase II.

G. Voth, D. Silverman, R. McKenna, 2009, Biochemistry.

Random and Block Sulfonated Polyaramides as Advanced Proton Exchange Membranes

A. Herring, Yuan Yang, C. M. Maupin, 2015 .

Proton transport in carbonic anhydrase: Insights from molecular simulation.

G. Voth, C. M. Maupin, 2010, Biochimica et biophysica acta.

Elucidating the conformational energetics of glucose and cellobiose in ionic liquids.

Vivek S. Bharadwaj, Timothy C Schutt, C. M. Maupin, 2015, Physical chemistry chemical physics : PCCP.

Parameter free prediction of rheological properties of homopolymer melts by dynamic Monte carlo simulation

C. M. Maupin, J. Dorgan, N. A. Rorrer, 2012 .

Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II.

Gregory A Voth, C Mark Maupin, Norberto Castillo, 2011, Journal of the American Chemical Society.

Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II

G. Voth, J. Swanson, C. M. Maupin, 2016, The journal of physical chemistry. B.

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 H4SiW12O40

James L. Horan, A. Herring, Yuan Yang, 2014 .

Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism--a gas-phase ab initio study.

Vivek S. Bharadwaj, A. Dean, C. M. Maupin, 2015, Physical chemistry chemical physics : PCCP.

Transport and Morphology of a Proton Exchange Membrane Based on a Doubly Functionalized Perfluorosulfonic Imide Side Chain Perflourinated Polymer

Andrew R. Motz, Himanshu N. Sarode, A. Herring, 2020 .

Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions.

Gregory A Voth, C Mark Maupin, Tae Hoon Choi, 2013, The journal of physical chemistry. B.

Impact of water dilution and cation tail length on ionic liquid characteristics: Interplay between polar and non-polar interactions

Vivek S. Bharadwaj, Timothy C Schutt, Govind A. Hegde, 2016 .

Anion exchange membranes composed of a poly(2,6-dimethyl-1,4-phenylene oxide) random copolymer functionalized with a bulky phosphonium cation

M. Liberatore, A. Herring, Yushan Yan, 2016 .

Computational evaluation of the dynamic fluctuations of peripheral loops enclosing the catalytic tunnel of a family 7 cellobiohydrolase.

Timothy C Schutt, C. M. Maupin, David M Granum, 2014, The journal of physical chemistry. B.

Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase.

C. M. Maupin, Shubham Vyas, S. V. Sambasivarao, 2014, The journal of physical chemistry. B.

The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B.

Vivek S. Bharadwaj, Timothy C Schutt, C. M. Maupin, 2015, Physical chemistry chemical physics : PCCP.

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

James L. Horan, A. Herring, C. M. Maupin, 2014 .

Impact of Water-Dilution on the Solvation Properties of the Ionic Liquid 1-Methyltriethoxy-3-ethylimidazolium Acetate for Model Biomass Molecules.

Vivek S. Bharadwaj, Timothy C Schutt, Govind A. Hegde, 2017, The journal of physical chemistry. B.

A multistate empirical valence bond description of protonatable amino acids.

Gregory A Voth, C Mark Maupin, G. Voth, 2006, The journal of physical chemistry. A.

Solvation Dynamics of HEHEHP Ligand at the Liquid-Liquid Interface.

Govind A. Hegde, Yuan Yang, C. M. Maupin, 2018, The journal of physical chemistry. B.

Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles

D. Silverman, R. McKenna, C. M. Maupin, 2014, IUCrJ.

Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism.

G. Voth, D. Silverman, R. McKenna, 2007, Biochemistry.

Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates.

C. Koh, E. Toberer, C. M. Maupin, 2016, Physical Chemistry, Chemical Physics - PCCP.

pKa determination of histidine residues in α-conotoxin MII peptides by 1H NMR and constant pH molecular dynamics simulation.

Owen M. McDougal, C. M. Maupin, Conrad Rohleder, 2013, The journal of physical chemistry. B.

Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton.

Gregory A Voth, C Mark Maupin, Sergei Izvekov, 2010, Journal of chemical theory and computation.

Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates.

E. Toberer, C. M. Maupin, J. Slingsby, 2016, Physical chemistry chemical physics : PCCP.