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Is ring breaking feasible in relative binding free energy calculations?

Shuai Liu1, Lingle Wang2, David L Mobley1

  • 1†Department of Pharmaceutical Sciences and Department of Chemistry, University of California, Irvine, 147 Bison Modular, Irvine, California 92697, United States.

Journal of Chemical Information and Modeling
|April 4, 2015
PubMed

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