Puja Goyal, Ph.D.

2013 Chemistry University of Wisconsin, Madison, Madison, WI 
 2017 University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
 2017- State University of New York at Binghamton, Vestal, NY, United States 
computational chemistry and biophysics
"Puja Goyal"


Mean distance: 8.77


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Qiang Cui grad student 2013 UW Madison
 (QM/MM studies of bio-molecular proton pumps.)
Sharon Hammes-Schiffer post-doc 2017 UIUC
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Kitheka MM, Redington M, Zhang J, et al. (2022) Benchmarks of the density functional tight-binding method for redox, protonation and electronic properties of quinones. Physical Chemistry Chemical Physics : Pccp
Cooper CL, Panitz N, Edwards TA, et al. (2021) Role of the CarH Photoreceptor Protein Environment in the Modulation of Cobalamin Photochemistry. Biophysical Journal
Noell CR, Loh JY, Debler EW, et al. (2019) Role of Coiled-coil Registry Shifts in Activation of Human Bicaudal D2 for Dynein Recruitment Upon Cargo-Binding. The Journal of Physical Chemistry Letters
Goyal P, Hammes-Schiffer S. (2017) Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor. Proceedings of the National Academy of Sciences of the United States of America
Goyal P, Hammes-Schiffer S. (2017) Tuning the Ultrafast Dynamics of Photoinduced Proton-Coupled Electron Transfer in Energy Conversion Processes Acs Energy Letters. 2: 512-519
Zhang S, Stevens DR, Goyal P, et al. (2016) Assessing the Potential Effects of Active Site Mg(2+) Ions in the glmS Ribozyme-Cofactor Complex. The Journal of Physical Chemistry Letters. 3984-3988
Goyal P, Schwerdtfeger CA, Soudackov AV, et al. (2016) Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex. The Journal of Physical Chemistry. B
Kennedy SR, Goyal P, Kozar MN, et al. (2016) Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2]. Inorganic Chemistry
Jin H, Goyal P, Das AK, et al. (2015) Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations. The Journal of Physical Chemistry. B
Gaus M, Jin H, Demapan D, et al. (2015) DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters. Journal of Chemical Theory and Computation. 11: 4205-19
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