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Computer-Aided Design of Orally Bioavailable Pyrrolidine Carboxamide Inhibitors of Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Pharmacokinetic Profiles.
Int J Mol Sci. 2015 Dec 12;16(12):29744-71. doi: 10.3390/ijms161226196.
Int J Mol Sci. 2015.
PMID: 26703572
Free PMC article.
B3LYP and MP2 calculations of the enthalpies of hydrogen-bonded complexes of methanol with neutral bases and anions: comparison with experimental data.
Koné M, Illien B, Graton J, Laurence C.
Koné M, et al.
J Phys Chem A. 2005 Dec 29;109(51):11907-13. doi: 10.1021/jp054173s.
J Phys Chem A. 2005.
PMID: 16366642
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Can quantum-mechanical calculations yield reasonable estimates of hydrogen-bonding acceptor strength? The case of hydrogen-bonded complexes of methanol.
Koné M, Illien B, Laurence C, Graton J.
Koné M, et al.
J Phys Chem A. 2011 Dec 1;115(47):13975-85. doi: 10.1021/jp209200w. Epub 2011 Nov 3.
J Phys Chem A. 2011.
PMID: 22004133
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