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Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis
Paulsen, Janet L., Yu, Haoyu S., Sindhikara, Dan, Wang, Lingle, Appleby, Todd C., Villaseñor, Armando Garcia, Schmitz, Uli, Shivakumar, DevleenaJournal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.0c00132
Date:
June, 2020
File:
PDF, 736 KB
2020