Publications by authors named "Elizabeth Hatcher"

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CHARMM all-atom additive force field for sphingomyelin: elucidation of hydrogen bonding and of positive curvature.
Richard M Venable, Alexander J Sodt, Brent Rogaski, Huan Rui, Elizabeth Hatcher

Biophys J· July 2014

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Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis.
Xibing He, Elizabeth Hatcher, Lars Eriksson, Göran Widmalm, Alexander D MacKerell

J Phys Chem B· June 2013

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CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.
Sairam S Mallajosyula, Olgun Guvench, Elizabeth Hatcher, Alexander D Mackerell

J Chem Theory Comput· February 2012

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CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.
Olgun Guvench, Sairam S Mallajosyula, E Prabhu Raman, Elizabeth Hatcher, Kenno Vanommeslaeghe

J Chem Theory Comput· October 2011

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Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides.
Elizabeth Hatcher, Elin Säwén, Göran Widmalm, Alexander D MacKerell

J Phys Chem B· January 2011

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Comparing simulated and experimental translation and rotation constants: range of validity for viscosity scaling.
Richard M Venable, Elizabeth Hatcher, Olgun Guvench, Alexander D Mackerell, Richard W Pastor

J Phys Chem B· October 2010

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CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose.
Elizabeth Hatcher, Olgun Guvench, Alexander D Mackerell

J Phys Chem B· September 2009

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CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses.
Olgun Guvench, Elizabeth R Hatcher, Richard M Venable, Richard W Pastor, Alexander D Mackerell

J Chem Theory Comput· August 2009

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CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates and Inositol.
Elizabeth Hatcher, Olgun Guvench, Alexander D Mackerell

J Chem Theory Comput· April 2009

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Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations.
Wei He, Elizabeth Hatcher, Alexander Balaeff, David N Beratan, Roberto R Gil

J Am Chem Soc· October 2008

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PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms.
Elizabeth Hatcher, Alexander Balaeff, Shahar Keinan, Ravindra Venkatramani, David N Beratan

J Am Chem Soc· September 2008

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Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics.
Sharon Hammes-Schiffer, Elizabeth Hatcher, Hiroshi Ishikita, Jonathan H Skone, Alexander V Soudackov

Coord Chem Rev· February 2008

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The importance of lost minerals in heart failure.
Kevin P Newman, Matthew T Neal, Matthew Roberts, Kayla D Goodwin, Elizabeth A Hatcher

Cardiovasc Hematol Agents Med Chem· October 2007

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Proton-coupled electron transfer in soybean lipoxygenase: dynamical behavior and temperature dependence of kinetic isotope effects.
Elizabeth Hatcher, Alexander V Soudackov, Sharon Hammes-Schiffer

J Am Chem Soc· January 2007

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Nonadiabatic proton-coupled electron transfer reactions: impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates.
Elizabeth Hatcher, Alexander Soudackov, Sharon Hammes-Schiffer

J Phys Chem B· October 2005

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Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions.
Alexander Soudackov, Elizabeth Hatcher, Sharon Hammes-Schiffer

J Chem Phys· January 2005

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Proton-coupled electron transfer in soybean lipoxygenase.
Elizabeth Hatcher, Alexander V Soudackov, Sharon Hammes-Schiffer

J Am Chem Soc· May 2004

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