Optimization Rules for SARS-CoV-2 M^pro Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site

by Shana V. Stoddard, Serena D. Stoddard, Benjamin K. Oelkers, Kennedi Fitts, Kellen Whalum, Kaylah Whalum, Alexander D. Hemphill, Jithin Manikonda, Linda Michelle Martinez, Elizabeth G. Riley, Caroline M. Roof, Nowreen Sarwar, Doni M. Thomas, Emily Ulmer, Felissa E. Wallace, Pankaj Pandey, Sudeshna Roy
Published 2020-08-01

In Silico Design of Peptide-Based SARS-CoV-2 Fusion Inhibitors That Target WT and Mutant Versions of SARS-CoV-2 HR1 Domains

by Shana V. Stoddard, Felissa E. Wallace, Serena D. Stoddard, Qianyi Cheng, Daniel Acosta, Shaliz Barzani, Marissa Bobay, Jared Briant, Christian Cisneros, Samantha Feinstein, Kelsey Glasper, Munazza Hussain, Abigail Lidoski, Pranay Lingareddy, Grace Lovett, Leslie Matherne, Jackson McIntosh, Nikita Moosani, Lia Nagge, Kudzai Nyamkondiwa, Isaiah Pratt, Emma Root, Mary Rose Rutledge, Mackenzie Sawyer, Yash Singh, Kristiana Smith, Ubaid Tanveer, Sona Vaghela
Published 2021-07-01