"Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, ..."

Pin-Chih Su et al. (2015)

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DOI: 10.1002/JCC.24011

access: closed

type: Journal Article

metadata version: 2021-04-09

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Pin-Chih Su, Cheng-Chieh Tsai, Shahila Mehboob, Kirk E. Hevener, Michael E. Johnson:
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). J. Comput. Chem. 36(25): 1859-1873 (2015)

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