Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models. - Robert McGibbon; Bharath Ramsundar; Mohammad Sultan; Gert Kiss; Vijay S. Pande (ICML, 2014)

Osprey: Hyperparameter Optimization for Machine Learning. - Robert T. McGibbon; Carlos X. Hernández; Matthew P. Harrigan; Steven Kearnes; Mohammad M. Sultan; Stanislaw Jastrzebski; Brooke E. Husic; Vijay S. Pande (J. Open Source Softw., 2016)

MSMExplorer: Data Visualizations for Biomolecular Dynamics. - Carlos X. Hernández; Matthew P. Harrigan; Mohammad M. Sultan; Vijay S. Pande (J. Open Source Softw., 2017)

Decision functions from supervised machine learning algorithms as collective variables for accelerating molecular simulations. - Mohammad M. Sultan; Vijay S. Pande (CoRR, 2018)

Using Deep Learning for Segmentation and Counting within Microscopy Data. - Carlos X. Hernández; Mohammad M. Sultan; Vijay S. Pande (CoRR, 2018)

The Reachable Set of a Drone: Exploring the Position Isochrones for a Quadcopter. - Mohammad M. Sultan; Daniel Biediger; Bernard Li; Aaron T. Becker (ICRA, 2021)

DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries. - Kirill Shmilovich; Benson Chen; Theofanis Karaletsos; Mohammad M. Sultan (J. Chem. Inf. Model., 2023)

KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors. - Benson Chen; Tomasz Danel; Patrick J. McEnaney; Nikhil Jain; Kirill Novikov; Spurti Umesh Akki; Joshua L. Turnbull; Virja Atul Pandya; Boris P. Belotserkovskii; Jared Bryce Weaver; Ankita Biswas; Dat Nguyen; et al. (CoRR, 2024)

Compositional Deep Probabilistic Models of DNA-Encoded Libraries. - Benson Chen; Mohammad M. Sultan; Theofanis Karaletsos (J. Chem. Inf. Model., 2024)