Puja Goyal, Ph.D. - Publications

Affiliations: 
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 
Area:
computational chemistry and biophysics
Website:
https://www.binghamton.edu/news/story/771/new-faculty-profiles-for-2017-18-part-3

19 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
2022 Kitheka MM, Redington M, Zhang J, Yao Y, Goyal P. Benchmarks of the density functional tight-binding method for redox, protonation and electronic properties of quinones. Physical Chemistry Chemical Physics : Pccp. PMID 35234766 DOI: 10.1039/d1cp05333g  0.305
2021 Cooper CL, Panitz N, Edwards TA, Goyal P. Role of the CarH Photoreceptor Protein Environment in the Modulation of Cobalamin Photochemistry. Biophysical Journal. PMID 34310939 DOI: 10.1016/j.bpj.2021.07.020  0.32
2019 Noell CR, Loh JY, Debler EW, Loftus KM, Cui H, Russ BB, Zhang K, Goyal P, Solmaz SR. Role of Coiled-coil Registry Shifts in Activation of Human Bicaudal D2 for Dynein Recruitment Upon Cargo-Binding. The Journal of Physical Chemistry Letters. PMID 31306018 DOI: 10.1021/Acs.Jpclett.9B01865  0.311
2017 Goyal P, Hammes-Schiffer S. 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. PMID 28137837 DOI: 10.1073/Pnas.1621393114  0.573
2017 Goyal P, Hammes-Schiffer S. Tuning the Ultrafast Dynamics of Photoinduced Proton-Coupled Electron Transfer in Energy Conversion Processes Acs Energy Letters. 2: 512-519. DOI: 10.1021/Acsenergylett.6B00723  0.561
2016 Zhang S, Stevens DR, Goyal P, Bingaman JL, Bevilacqua PC, Hammes-Schiffer S. Assessing the Potential Effects of Active Site Mg(2+) Ions in the glmS Ribozyme-Cofactor Complex. The Journal of Physical Chemistry Letters. 3984-3988. PMID 27677922 DOI: 10.1021/Acs.Jpclett.6B01854  0.658
2016 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. 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. PMID 26812149 DOI: 10.1021/Acs.Jpcb.5B12015  0.578
2016 Kennedy SR, Goyal P, Kozar MN, Yennawar HP, Hammes-Schiffer S, Lear BJ. Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2]. Inorganic Chemistry. PMID 26812117 DOI: 10.1021/Acs.Inorgchem.5B02035  0.543
2015 Jin H, Goyal P, Das AK, Gaus M, Meuwly M, Cui Q. Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 26624804 DOI: 10.1021/Acs.Jpcb.5B09656  0.488
2015 Gaus M, Jin H, Demapan D, Christensen AS, Goyal P, Elstner M, Cui Q. DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters. Journal of Chemical Theory and Computation. 11: 4205-19. PMID 26575916 DOI: 10.1021/Acs.Jctc.5B00600  0.499
2015 Goyal P, Hammes-Schiffer S. Role of Solvent Dynamics in Photoinduced Proton-Coupled Electron Transfer in a Phenol-Amine Complex in Solution. The Journal of Physical Chemistry Letters. PMID 26275870 DOI: 10.1021/Acs.Jpclett.5B01475  0.575
2015 Goyal P, Yang S, Cui Q. Microscopic basis for kinetic gating in Cytochrome c oxidase: insights from QM/MM analysis. Chemical Science (Royal Society of Chemistry : 2010). 6: 826-841. PMID 25678950 DOI: 10.1039/C4Sc01674B  0.587
2015 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex. The Journal of Physical Chemistry. B. 119: 2758-68. PMID 25545667 DOI: 10.1021/Jp5126969  0.565
2015 Zhang S, Ganguly A, Goyal P, Bingaman JL, Bevilacqua PC, Hammes-Schiffer S. Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: quantum mechanical/molecular mechanical free energy simulations. Journal of the American Chemical Society. 137: 784-98. PMID 25526516 DOI: 10.1021/Ja510387Y  0.684
2014 Goyal P, Qian HJ, Irle S, Lu X, Roston D, Mori T, Elstner M, Cui Q. Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based models. The Journal of Physical Chemistry. B. 118: 11007-27. PMID 25166899 DOI: 10.1021/Jp503372V  0.521
2013 Goyal P, Lu J, Yang S, Gunner MR, Cui Q. Changing hydration level in an internal cavity modulates the proton affinity of a key glutamate in cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America. 110: 18886-91. PMID 24198332 DOI: 10.1073/Pnas.1313908110  0.582
2012 Riccardi D, Zhu X, Goyal P, Yang S, Hou G, Cui Q. Toward molecular models of proton pumping: Challenges, methods and relevant applications Science China Chemistry. 55: 3-18. DOI: 10.1007/S11426-011-4458-9  0.684
2011 Goyal P, Ghosh N, Phatak P, Clemens M, Gaus M, Elstner M, Cui Q. Proton storage site in bacteriorhodopsin: new insights from quantum mechanics/molecular mechanics simulations of microscopic pK(a) and infrared spectra. Journal of the American Chemical Society. 133: 14981-97. PMID 21761868 DOI: 10.1021/Ja201568S  0.664
2011 Goyal P, Elstner M, Cui Q. Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water. The Journal of Physical Chemistry. B. 115: 6790-805. PMID 21526802 DOI: 10.1021/Jp202259C  0.521
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