|Scientific Computing||Oak Ridge National Laboratory, Oak Ridge, TN, United States|
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|Glaser J, Sedova A, Galanie S, et al. (2022) Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor. Acs Pharmacology & Translational Science. 5: 255-265|
|Munro LJ, Tharrington A, Jordan KD. (2002) Global optimization and finite temperature simulations of atomic clusters: Use of XenArm clusters as test systems Computer Physics Communications. 145: 1-23|