Tandac Furkan Guclu

The paper introduces a temporal hydrogen-bond network analysis framework to study ligand-directed connectivity in DHFR, revealing mutation-sensitive pathways and evolutionarily supported communication regions.

The paper demonstrates the feasibility of high-throughput mutational scanning of a protein using alchemical free energy calculations on a high-performance computing resource.

This study investigates TolC protein dynamics in Gram-negative bacteria, identifying structural shifts that facilitate β-lactam efflux and resistance, with implications for antibiotic design.

The paper uses computational methods to analyze the mutational landscape of GB1's binding to IgG-Fc, identifying key hydrogen bonds and structural features that influence binding affinity.