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Protein–Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field

Grzegorz Nawrocki,Igor Leontyev,Serzhan Sakipov,Mikhail Darkhovskiy,Igor Kurnikov,Leonid Pereyaslavets,Ganesh Kamath,Ekaterina Voronina,Oleg Butin,Alexey Illarionov,Michael Olevanov,Alexander Kostikov,Ilya Ivahnenko,Dhilon S. Patel,Subramanian K. . R. S. Sankaranarayanan,Maria G. Kurnikova,Christopher Lock,Gavin E. Crooks,Michael Levitt,Roger D. Kornberg,Boris Fain

Journal of Chemical Theory and Computation（2022）

Cited 9|Views50
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