M. Michael Gromiha

Amylo-Pipe integrates mechanistic and kinetic prediction tools for protein and peptide aggregation, offering a web interface for assessing aggregation behavior and supporting protein engineering.

This paper evaluates blind predictions of dynamic water and ion ensembles around RNA using cryo-EM densities from CASP16, finding that molecular dynamics approaches perform best.

This study uses molecular dynamics and free energy calculations to predict insulin analog potency at IGF-1R and identify structural drivers of activity.