Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F . tularensis enoyl-ACP reductase (FabI)

Wiley, Journal of Computational Chemistry, 25(36), p. 1859-1873, 2015

Journal article published in 2015 by Pin-Chih Su, Cheng-Chieh Tsai, Shahila Mehboob, Kirk E. Hevener, Michael E. Johnson

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