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Application of Semiempirical Quantum Mechanical Methods To Accurately Estimate Ligand-Binding Structure in Biological

Charles-Alexandre Mattelaer1, Roberto Fino2, Christian Permann3,4

  • 1Department of Chemistry, KU Leuven, Celestijnenlaan, 200F, Leuven 3001, Belgium.

Journal of Chemical Information and Modeling
|January 13, 2026
PubMed

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