Aram Davtyan

This paper introduces DODock and DOScore, hybrid ML/physics frameworks for docking and scoring that improve accuracy while generalizing better to novel molecules, showing significant improvements in hit rates for virtual screening.

This paper develops KAT-TCIPs to induce cell death in diffuse large B cell lymphoma by redirecting p300 and CBP to activate programmed cell death genes repressed by BCL6.

This paper introduces OpenAWSEM and Open3SPN2, GPU-accelerated coarse-grained simulation tools for proteins and DNA, enabling faster and more flexible modeling of biomolecular systems.