Dumas VG - Search Results

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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.

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.

Dumas VG, Defelipe LA, Petruk AA, Turjanski AG, Marti MA. Dumas VG, et al. 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

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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