Mechanistic insights into HIV–1 capsid uncoating driven by reverse transcription
Kuntal Ghosh, Manish Gupta and Gregory A. Voth (Manuscript in preparation)
Multicomponent crystallization via two–body interactions: A CO2 hydrate formation study
Liang-Yao Huang, Kuntal Ghosh, Shiang-Tai Lin and Gregory A. Voth (Manuscript in preparation)
NNP/CG–MM: Systematic embedding of all–atom neural network potentials in a coarse–grained environment
Kuntal Ghosh and Gregory A. Voth (To be submitted)
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