ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations. - Benfeard Williams II; Marino Convertino; Jhuma Das; Nikolay V. Dokholyan (PLoS Comput. Biol., 2015)

Transmembrane helical interactions in the CFTR channel pore. - Jhuma Das; Andrei A. Aleksandrov; Liying Cui; Lihua He; John R. Riordan; Nikolay V. Dokholyan (PLoS Comput. Biol., 2017)

Leveraging high-throughput screening data, deep neural networks, and conditional generative adversarial networks to advance predictive toxicology. - Adrian J. Green; Martin J. Mohlenkamp; Jhuma Das; Meenal Chaudhari; Lisa Truong; Robyn L. Tanguay; David M. Reif (PLoS Comput. Biol., 2021)