An Assessment of Dispersion-Corrected DFT Methods for Modeling Nonbonded Interactions in Protein Kinase Inhibitor Complexes Article (Web of Science)

Open Access International Collaboration

cited authors

  • Zhu, Yan; Alqahtani, Saad; Hu, Xiche

publication date

  • January 1, 2024

webpage

published in

category

keywords

  • CCSD(T)/CBS reference
  • benchmarking
  • dispersion-corrected DFTs
  • molecular recognition
  • motifs of nonbonded interactions
  • protein kinase inhibitors

volume

  • 29

issue

  • 2