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A physics-aware neural network for protein–ligand interactions with quantum chemical accuracy.

Authors :
Glick, Zachary L.
Metcalf, Derek P.
Glick, Caroline S.
Spronk, Steven A.
Koutsoukas, Alexios
Cheney, Daniel L.
Sherrill, C. David
Source :
Chemical Science; 9/7/2024, Vol. 15 Issue 33, p13313-13324, 12p
Publication Year :
2024

Details

Language :
English
ISSN :
20416520
Volume :
15
Issue :
33
Database :
Complementary Index
Journal :
Chemical Science
Publication Type :
Academic Journal
Accession number :
179176872
Full Text :
https://doi.org/10.1039/d4sc01029a