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Journal of Chemical Theory and Computation|August 19, 2025
Systematic Embedding of All-Atom Reactive Molecular Dynamics into a Coarse-Grained EnvironmentKuntal Ghosh, Da Teng, Gregory A VothJournal of Chemical Theory and Computation|July 27, 2026
NNP/CG-MM: Embedding of All-Atom Neural Network Potentials into a Coarse-Grained Molecular Mechanics EnvironmentKuntal Ghosh, Gregory A VothBiorxiv : the Preprint Server for Biology|April 27, 2026
Mechanism of HIV-1 Capsid Rupture and Uncoating by Reverse TranscriptionKuntal Ghosh, Manish Gupta, Gregory A VothThe Journal of Chemical Physics|December 11, 2023
Can a coarse-grained water model capture the key physical features of the hydrophobic effect?Kuntal Ghosh, Timothy D Loose, Gregory A VothThe Journal of Physical Chemistry. A|July 17, 2024
QM/CG-MM: Systematic Embedding of Quantum Mechanical Systems in a Coarse-Grained Environment with Accurate ElectrostaticsDa Teng, Alexander V Mironenko, Gregory A VothBiorxiv : the Preprint Server for Biology|August 2, 2024
Activation of the influenza B M2 proton channel (BM2)Zhi Yue, Jiangbo Wu, Da Teng, et al.Biochemistry|November 3, 2024
Activation of the Influenza B M2 Proton Channel (BM2)Zhi Yue, Jiangbo Wu, Da Teng, et al.Biophysical Journal|May 8, 2026
Proton Hopping and Secondary Gating Reveal a Universal Transport Mechanism in a Minimal Bacterial Transporter EmrEDa Teng, Merissa Brousseau, Jong Ho Choi, et al.Elife|July 7, 2025
The C-terminus of the multi-drug efflux pump EmrE prevents proton leak by gating transportMerissa Brousseau, Da Teng, Nathan E Thomas, et al.Seeing and Perceiving|June 26, 2012
A possible role and basis of visual pathway selection in brightness inductionKuntal GhoshPageof 80