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Scientific Reports|June 12, 2026
Challenges of conventional iterative all-atom and coarse-grained multiscale molecular dynamicsHung N Do, Joe McKenzie, S GnanakaranBiophysical Journal|February 28, 2025
Diverse toxins exhibit a common binding mode to the nicotinic acetylcholine receptorsHung N Do, Jessica Z Kubicek-Sutherland, S GnanakaranCommunications Biology|February 13, 2025
Dynamics and activation of membrane-bound B cell receptor assemblyHung N Do, Mingfei Zhao, S Munir Alam, et al.Biorxiv : the Preprint Server for Biology|July 19, 2024
Dynamics and Activation of Membrane-Bound B Cell Receptor AssemblyHung N Do, Mingfei Zhao, S Munir Alam, et al.Biorxiv : the Preprint Server for Biology|August 12, 2024
Insertion and Anchoring of HIV-1 Fusion Peptide into Complex Membrane Mimicking Human T-cellMingfei Zhao, Laura Joana Silva Lopes, Harshita Sahni, et al.The Journal of Physical Chemistry. B|December 13, 2024
Insertion and Anchoring of the HIV-1 Fusion Peptide into a Complex Membrane Mimicking the Human T-CellMingfei Zhao, Laura J S Lopes, Harshita Sahni, et al.Biorxiv : the Preprint Server for Biology|April 10, 2023
Deep Boosted Molecular Dynamics (DBMD): Accelerating molecular simulations with Gaussian boost potentials generated using probabilistic Bayesian deep neural networkHung N Do, Yinglong MiaoThe Journal of Physical Chemistry Letters|May 23, 2023
Deep Boosted Molecular Dynamics: Accelerating Molecular Simulations with Gaussian Boost Potentials Generated Using Probabilistic Bayesian Deep Neural NetworkHung N Do, Yinglong MiaoBiophysical Journal|April 23, 2009
The stability of cellulose: a statistical perspective from a coarse-grained model of hydrogen-bond networksTongye Shen, S GnanakaranCurrent Opinion in HIV and AIDS|January 6, 2010
The implications of patterns in HIV diversity for neutralizing antibody induction and susceptibilityBette Korber, S GnanakaranPageof 12