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QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.
Proteins. 2014 Jun;82(6):1004-21. doi: 10.1002/prot.24474. Epub 2013 Dec 6.
Proteins. 2014.
PMID: 24356896
WATCLUST: a tool for improving the design of drugs based on protein-water interactions.
López ED, Arcon JP, Gauto DF, Petruk AA, Modenutti CP, Dumas VG, Marti MA, Turjanski AG.
López ED, et al. Among authors: dumas vg.
Bioinformatics. 2015 Nov 15;31(22):3697-9. doi: 10.1093/bioinformatics/btv411. Epub 2015 Jul 20.
Bioinformatics. 2015.
PMID: 26198103
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Efficient Calculation of Enzyme Reaction Free Energy Profiles Using a Hybrid Differential Relaxation Algorithm: Application to Mycobacterial Zinc Hydrolases.
Romero JM, Martin M, Ramirez CL, Dumas VG, Marti MA.
Romero JM, et al. Among authors: dumas vg.
Adv Protein Chem Struct Biol. 2015;100:33-65. doi: 10.1016/bs.apcsb.2015.06.006. Epub 2015 Jul 15.
Adv Protein Chem Struct Biol. 2015.
PMID: 26415840
Review.
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Bacterial cytochrome P450s: a bioinformatics odyssey of substrate discovery.
Schottlender G, Prieto JM, Clemente C, Schuster CD, Dumas V, Fernández Do Porto D, Martí MA.
Schottlender G, et al.
Front Microbiol. 2024 Feb 7;15:1343029. doi: 10.3389/fmicb.2024.1343029. eCollection 2024.
Front Microbiol. 2024.
PMID: 38384262
Free PMC article.
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