Puja Goyal

发表

Tuning the Ultrafast Dynamics of Photoinduced Proton-Coupled Electron Transfer in Energy Conversion Processes

S. Hammes-Schiffer, Puja Goyal, S. Hammes‐Schiffer, 2017 .

DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters

Anders S. Christensen, Q. Cui, M. Elstner, 2015, Journal of chemical theory and computation.

Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.

Q. Cui, M. Meuwly, Michael Gaus, 2016, The journal of physical chemistry. B.

Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex.

Puja Goyal, A. Soudackov, Christine A. Schwerdtfeger, 2016, The journal of physical chemistry. B.

Role of Solvent Dynamics in Photoinduced Proton-Coupled Electron Transfer in a Phenol-Amine Complex in Solution.

Puja Goyal, S. Hammes‐Schiffer, 2015, The journal of physical chemistry letters.

Coiled‐coil registry shifts in the F684I mutant of Bicaudal D result in cargo‐independent activation of dynein motility

Sozanne R. Solmaz, K. Trybus, M. Y. Ali, 2020, Traffic.

Toward molecular models of proton pumping: Challenges, methods and relevant applications

Q. Cui, Xiao Zhu, D. Riccardi, 2012, Science China Chemistry.

Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2].

Puja Goyal, H. Yennawar, Benjamin J. Lear, 2016, Inorganic chemistry.

Sterol A-ring plasticity in hedgehog protein cholesterolysis supports a primitive substrate selectivity mechanism.

N. Banavali, Chunyu Wang, Puja Goyal, 2019, Chemical communications.

Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water.

Puja Goyal, Marcus Elstner, Qiang Cui, 2011, The journal of physical chemistry. B.

Changing hydration level in an internal cavity modulates the proton affinity of a key glutamate in cytochrome c oxidase

Q. Cui, M. Gunner, Puja Goyal, 2013, Proceedings of the National Academy of Sciences.

Proton storage site in bacteriorhodopsin: new insights from quantum mechanics/molecular mechanics simulations of microscopic pK(a) and infrared spectra.

Q. Cui, N. Ghosh, M. Elstner, 2011, Journal of the American Chemical Society.

Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex.

Puja Goyal, A. Soudackov, Christine A. Schwerdtfeger, 2015, The journal of physical chemistry. B.

Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

Stephan Irle, Hu-Jun Qian, Puja Goyal, 2014, The journal of physical chemistry. B.

Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor

Puja Goyal, S. Hammes‐Schiffer, 2017, Proceedings of the National Academy of Sciences.

Mechanism and potential sites of potassium interaction with glutamate transporters

Puja Goyal, C. Grewer, Kaiqi Zhang, 2020, The Journal of general physiology.

Role of the Active Site Guanine in the glmS Ribozyme Self-Cleavage Mechanism: Quantum Mechanical/Molecular Mechanical Free Energy Simulations

Sharon Hammes-Schiffer, Puja Goyal, Philip C. Bevilacqua, 2014, Journal of the American Chemical Society.

Role of Coiled-coil Registry Shifts in Activation of Human Bicaudal D2 for Dynein Recruitment Upon Cargo-Binding.

Sozanne R. Solmaz, E. Debler, Puja Goyal, 2019, The journal of physical chemistry letters.

Coiled-coil registry shifts in the F684I mutant of Bicaudal result in cargo-independent dynein recruitment

Sozanne R. Solmaz, K. Trybus, M. Y. Ali, 2019, bioRxiv.

Assessing the Potential Effects of Active Site Mg2+ Ions in the glmS Ribozyme–Cofactor Complex

Sharon Hammes-Schiffer, Puja Goyal, David R. Stevens, 2016, The journal of physical chemistry letters.

Microscopic basis for kinetic gating in cytochrome c oxidase: insights from QM/MM analysis

Q. Cui, Puja Goyal, Shuo Yang, 2014, Chemical science.

Benchmarks of the density functional tight-binding method for redox, protonation and electronic properties of quinones.

Jibo Zhang, Puja Goyal, Yan Yao, 2022, Physical chemistry chemical physics : PCCP.

Sterol A-ring plasticity in hedgehog protein cholesterolysis supports a primitive substrate selectivity mechanism.

N. Banavali, Chunyu Wang, Puja Goyal, 2019, Chemical Communications.

Coiled‐coil registry shifts in the F684I mutant of Bicaudal D result in cargo‐independent activation of dynein motility

K. Trybus, M. Y. Ali, Puja Goyal, 2020, Traffic.

Coiled-Coil Registry Shifts in the F684I Mutant of Bicaudal Result in Cargo-Independent Activation of Dynein Motility

K. Trybus, Puja Goyal, H. Cui, 2020, Biophysical Journal.

Role of coiled-coil registry shifts in activation of human Bicaudal D2 for dynein recruitment upon cargo-binding

E. Debler, Puja Goyal, Kyle M. Loftus, 2019, bioRxiv.

Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor

Puja Goyal, S. Hammes‐Schiffer, 2017, Proceedings of the National Academy of Sciences.