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An Assessment of Dispersion-Corrected DFT Methods for Modeling Nonbonded Interactions in Protein Kinase Inhibitor Complexes
Article (Web of Science)
Open Access
International Collaboration
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Research
Additional Document Info
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cited authors
Zhu, Yan; Alqahtani, Saad; Hu, Xiche
publication date
January 1, 2024
webpage
Web of Science
published in
MOLECULES
Journal
Research
category
CHEMISTRY, MULTIDISCIPLINARY
Category
keywords
CCSD(T)/CBS reference
benchmarking
dispersion-corrected DFTs
molecular recognition
motifs of nonbonded interactions
protein kinase inhibitors
Additional Document Info
volume
29
issue
2