Mohammad Sahil

I helix Mediates the Allosteric Regulation in Cytochrome P450cam

This paper identifies the I-helix as the central regulator of allostery in Cytochrome P450cam, showing its conformational flexibility and role in substrate binding and channel dynamics.

Unbiased learning of protein conformational representation via unsupervised random forest

This paper introduces URF, an unsupervised random forest method for learning protein conformational representations without prior labels, showing it performs as well as or better than existing methods.

Dynamic Insights into Hsp90 Inhibitor Binding: Uncovering Intermediate States and Conformational Plasticity

This study uses MD simulations and machine learning to reveal a two-stage binding mechanism of Hsp90 inhibitor Geldanamycin, showing stabilization of the loop-out conformation and involvement of both conformational selection and induced fit.