Artur Góra

Prot2Surf analyzes and predicts protein-surface binding modes by calculating key features like distances and orientations, enabling efficient characterization of interaction patterns.

This study investigates how different water models affect water molecule migration through enzyme tunnels, finding that TIP3P allows faster and greater transport compared to OPC and TIP4P-Ew.

The paper studies tunnel evolution in soluble epoxide hydrolases, finding conserved tunnel-lining residues and variable residues that respond to evolutionary pressure, proposing methods for tunnel design and enzyme reengineering.

The paper analyzes the structural and evolutionary features of SARS-CoV-2 Mpro, finding that its active site differences and flexibility make it a poor target for small-molecule inhibitors.