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 65 (15): 8127–8136 (2025)
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)
Phenyl-Substituted Thiaboranes─Linked 2D and 3D Aromatics as Noncovalent Organic Framework Materials
Inorganic Chemistry 64 (15): 7377–7387 (2025)