Structural regulation of HIV-1 capsid architecture by NUP153 and CPSF6
Kuntal Ghosh, Avinash Dakshinamoorthy, Ayan Majumder, Arpa Hudait, Sanjib Senapati and Gregory A. Voth (To be submitted)
Mechanistic Insights into HIV-1 Capsid Interactions with CPSF6
Arpa Hudait†, Kuntal Ghosh†, and Gregory A. Voth bioRxiv, 2026
(†these authors contributed equally)
Mechanism of HIV-1 capsid rupture and uncoating by reverse transcription
Kuntal Ghosh, Manish Gupta and Gregory A. Voth Proceedings of the National Academy of Sciences U.S.A. 123 (43) e2617714123, 2026
Multicomponent Crystallization Via Bottom-Up Coarse-Grained Modeling: CO2 Hydrate Formation
Liang-Yao Huang, Kuntal Ghosh, Shiang-Tai Lin and Gregory A. Voth Journal of Physical Chemistry B (2026)
NNP/CG-MM: Embedding of All-Atom Neural Network Potentials into a Coarse-Grained Molecular Mechanics Environment
Kuntal Ghosh and Gregory A. Voth Journal of Chemical Theory and Computation (2026) 22 (15): 7544–7557
Systematic embedding of all–atom reactive molecular dynamics into a coarse–grained environment
Kuntal Ghosh, Da Teng and Gregory A. Voth Journal of Chemical Theory and Computation, 2025, 21, 17, 8456–8467
Can a coarse–grained water model capture the key physical features of the hydrophobic effect?
Kuntal Ghosh, Timothy D. Loose and Gregory A. Voth Journal of Chemical Physics, 159, 224105 (2023)
Structure elucidation and construction of isomerisation pathways in small to moderate-sized (6 — 27) MgO nanoclusters: An adaptive mutation simulated annealing based analysis with quantum chemical calculations
Kuntal Ghosh, Rahul Sharma and Pinaki Chaudhury Physical Chemistry Chemical Physics, 2020, 22, 9616-9629