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Journal of the American Chemical Society|October 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular InteractionsAlexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets, et al.Journal of Chemical Theory and Computation|December 2, 2022
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force FieldGrzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, et al.Frontiers in Cardiovascular Medicine|May 15, 2026
A cost-effective proof-of-concept ex vivo perfusion model for myocardial ischemia-reperfusion injury in wistar rats: enhancing accessibility in resource-constrained settingsSainath P, Shakta Mani Satyam, Abdul Rehman, et al.Nature Communications|January 21, 2022
Accurate determination of solvation free energies of neutral organic compounds from first principlesLeonid Pereyaslavets, Ganesh Kamath, Oleg Butin, et al.Pageof 13