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Journal of Computational Chemistry|November 26, 2019
Microscopic Characterization of GRP1 PH Domain Interaction with Anionic MembranesShashank Pant, Emad TajkhorshidChemical Science|June 4, 2021
Active participation of membrane lipids in inhibition of multidrug transporter P-glycoproteinKaran Kapoor, Shashank Pant, Emad TajkhorshidACS Chemical Neuroscience|February 22, 2022
Microscopic Characterization of the Chloride Permeation Pathway in the Human Excitatory Amino Acid Transporter 1 (EAAT1)Shashank Pant, Qianyi Wu, Renae Ryan, et al.The Journal of Chemical Physics|December 23, 2020
Confronting pitfalls of AI-augmented molecular dynamics using statistical physicsShashank Pant, Zachary Smith, Yihang Wang, et al.The Journal of Physical Chemistry. B|March 27, 2026
Probing Solution Dynamics of Tissue Factor Using Molecular Dynamics Simulations Guided by NMR Chemical ShiftsMuyun Lihan, Shashank Pant, Adedolapo M Ojoawo, et al.Communications Biology|October 15, 2021
PIP2-dependent coupling of voltage sensor and pore domains in Kv7.2 channelShashank Pant, Jiaren Zhang, Eung Chang Kim, et al.Journal of Chemical Theory and Computation|February 9, 2022
A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and PitfallsHaochuan Chen, Dylan Ogden, Shashank Pant, et al.Chemical Reviews|April 13, 2019
Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular SimulationMelanie P Muller, Tao Jiang, Chang Sun, et al.Trends in Biochemical Sciences|December 10, 2019
Computational Dissection of Membrane Transport at a Microscopic LevelTao Jiang, Po-Chao Wen, Noah Trebesch, et al.The Journal of Physical Chemistry. B|March 18, 2025
Dissecting Large-Scale Structural Transitions in Membrane Transporters Using Advanced Simulation TechnologiesShashank Pant, Sepehr Dehghani-Ghahnaviyeh, Noah Trebesch, et al.Pageof 33