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Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields.
Fang-Yu Lin
Alexander D. MacKerell Jr.
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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protein interaction
protein protein interactions
computational methods
machine learning
computational model
high throughput
biological systems