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Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions.

Alexey Illarionov,Serzhan Sakipov,Leonid Pereyaslavets,Igor V. Kurnikov,Ganesh Kamath,Oleg Butin,Ekaterina Voronina,Ilya Ivahnenko,Igor Leontyev,Grzegorz Nawrocki,Mikhail Darkhovskiy,Michael Olevanov,Yevhen K. Cherniavskyi,Christopher Lock, Sean Greenslade,Subramanian K. R. S. Sankaranarayanan,Maria G. Kurnikova,Jeffrey Potoff, Roger D. Kornberg,Michael Levitt,Boris Fain

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY（2023）

Cited 12|Views38

Key words

Molecular Docking,Network Pharmacology,Computational Chemistry,Homology Modeling

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