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Journal of Chemical Theory and Computation|June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First PrinciplesOleg Butin, Leonid Pereyaslavets, Ganesh Kamath, et al.The Journal of Physical Chemistry. A|January 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded InteractionsGanesh Kamath, Alexey Illarionov, Serzhan Sakipov, et al.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.Chemical Science|February 16, 2023
AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitorFeng Ren, Xiao Ding, Min Zheng, 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.Interventional Neuroradiology : Journal of Peritherapeutic Neuroradiology, Surgical Procedures and Related Neurosciences|August 8, 2025
Outcomes after carotid revascularization for symptomatic carotid artery web: A multi-institutional cohort studyMichael T Bounajem, Allison Liang, Annie Trang, et al.Journal of Neurointerventional Surgery|March 26, 2025
Comparison of embolic agents in preoperative embolization for intracranial meningiomas: multicenter adjusted analysis of 275 casesJulio Isidor, Rahim Abo Kasem, Mohammad-Mahdi Sowlat, et al.Proteins|March 29, 2014
WeFold: a coopetition for protein structure predictionGeorge A Khoury, Adam Liwo, Firas Khatib, et al.Structure (London, England : 1993)|February 17, 2009
Outcome of a workshop on applications of protein models in biomedical researchTorsten Schwede, Andrej Sali, Barry Honig, et al.Pageof 21