D. Rogers

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

John A. Gunnels, Julie C. Mitchell, Matthew B. Baker, 2020, ChemRxiv.

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

John A. Gunnels, Julie C. Mitchell, Matthew B. Baker, 2020, Journal of chemical information and modeling.

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Duncan Poole, John A. Gunnels, Arvind Ramanathan, 2020, J. Chem. Inf. Model..

Molecular basis for higher affinity of SARS‐CoV‐2 spike RBD for human ACE2 receptor

Sagar A. Pandit, Nalvi D. Duro, A. Tkatchenko, 2021, Proteins.

High-throughput virtual laboratory for drug discovery using massive datasets

Matthew B. Baker, A. F. Tillack, J. Vermaas, 2021, Int. J. High Perform. Comput. Appl..

Cleavage of K-FGF produces a truncated molecule with increased biological activity and receptor binding affinity

D. Rogers, C. Basilico, P. Bellosta, 1993, The Journal of cell biology.

Supercomputing Pipelines Search for Therapeutics Against COVID-19

Matthew B. Baker, Swen Boehm, Jeff Larkin, 2020, Computing in Science & Engineering.

Research Software Engineering at Oak Ridge National Laboratory

G. R. Watson, William F. Godoy, M. Doucet, 2022, Computing in Science & Engineering.

SARS-CoV2 billion-compound docking

Matthew B. Baker, J. Vermaas, MicholasDean Smith, 2023, Scientific Data.