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An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia.
Molecules. 2020 Aug 26;25(17):3891. doi: 10.3390/molecules25173891.
Molecules. 2020.
PMID: 32859023
Free PMC article.
Review.
Receptor-based virtual screening protocol for drug discovery.
Cerqueira NM, Gesto D, Oliveira EF, Santos-Martins D, Brás NF, Sousa SF, Fernandes PA, Ramos MJ.
Cerqueira NM, et al.
Arch Biochem Biophys. 2015 Sep 15;582:56-67. doi: 10.1016/j.abb.2015.05.011. Epub 2015 Jun 1.
Arch Biochem Biophys. 2015.
PMID: 26045247
Review.
Item in Clipboard
Discovery of new druggable sites in the anti-cholesterol target HMG-CoA reductase by computational alanine scanning mutagenesis.
Gesto DS, Cerqueira NM, Ramos MJ, Fernandes PA.
Gesto DS, et al.
J Mol Model. 2014 Apr;20(4):2178. doi: 10.1007/s00894-014-2178-8. Epub 2014 Mar 27.
J Mol Model. 2014.
PMID: 24671303
Item in Clipboard
Cholesterol Biosynthesis: A Mechanistic Overview.
Cerqueira NM, Oliveira EF, Gesto DS, Santos-Martins D, Moreira C, Moorthy HN, Ramos MJ, Fernandes PA.
Cerqueira NM, et al. Among authors: gesto ds.
Biochemistry. 2016 Oct 4;55(39):5483-5506. doi: 10.1021/acs.biochem.6b00342. Epub 2016 Sep 23.
Biochemistry. 2016.
PMID: 27604037
Review.
Item in Clipboard
Unraveling the enigmatic mechanism of L-asparaginase II with QM/QM calculations.
Gesto DS, Cerqueira NM, Fernandes PA, Ramos MJ.
Gesto DS, et al.
J Am Chem Soc. 2013 May 15;135(19):7146-58. doi: 10.1021/ja310165u. Epub 2013 May 6.
J Am Chem Soc. 2013.
PMID: 23544711
Item in Clipboard
Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells.
Listyarini RV, Gesto DS, Paiva P, Ramos MJ, Fernandes PA.
Listyarini RV, et al. Among authors: gesto ds.
Front Chem. 2019 Jun 5;7:391. doi: 10.3389/fchem.2019.00391. eCollection 2019.
Front Chem. 2019.
PMID: 31231631
Free PMC article.
Item in Clipboard
Gemcitabine: a critical nucleoside for cancer therapy.
Gesto DS, Cerqueira NM, Fernandes PA, Ramos MJ.
Gesto DS, et al.
Curr Med Chem. 2012;19(7):1076-87. doi: 10.2174/092986712799320682.
Curr Med Chem. 2012.
PMID: 22257063
Review.
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