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Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Predicted Pharmacokinetic Profiles.
Int J Mol Sci. 2019 Sep 24;20(19):4730. doi: 10.3390/ijms20194730.
Int J Mol Sci. 2019.
PMID: 31554227
Free PMC article.
How accurate is the description of ligand-protein interactions by a hybrid QM/MM approach?
Kollar J, Frecer V.
Kollar J, et al.
J Mol Model. 2017 Dec 12;24(1):11. doi: 10.1007/s00894-017-3537-z.
J Mol Model. 2017.
PMID: 29234892
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