Profil

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

Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein–Ligand Scoring Functions with MD-Based Free Energy Calculations
Journal of Chemical Information and Modeling 2025: Early View
Benchmark of Approximate Quantum Chemical and Machine Learning Potentials for Biochemical Proton Transfer Reactions
Journal of Chemical Theory and Computation 2025: Early View
Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin–Receptor Interface\r\n
Journal of Chemical Information and Modeling 65 (11): 5690–5705 (2025)