Keigo Gohda

Computational elucidation of possible contributors to formation and stabilization of ATP-lid down-conformation in the N-terminal domain of Hsp90

This study uses molecular dynamics simulations to identify key residues and structural features contributing to lid closure in Hsp90's N-terminal domain.

Understanding of ATP-lid conformational dynamics in the N-terminal domain of Hsp90 and its mutants by use of a computational biochemistry approach

The paper uses computational simulations to study lid closure in Hsp90 and its mutants, finding conformational instability in the lid segment correlates with ATP hydrolysis activity.