I am computational chemist interested mainly in non-covalent interactions. More details about my work can be found at my personal website.

Další zdroje

Nejnovější publikace

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
Nature Communications 15: 1127 (2024)
Improved Description of Intra- and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller–Plesset Perturbation Theory
Accounts of Chemical Research 56 (23): 3525–3534 (2023)
On the Role of Charge Transfer in Many-Body Non-Covalent Interactions
ChemPhysChem 24 (18): e202300329 (2023)
How well do semiempirical QM methods describe the structure of proteins?
Journal of Chemical Physics 158 (4): 044118 (2023)