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Penetratin and derivatives acting as antibacterial agents.
Chem Biol Drug Des. 2013 Aug;82(2):167-77. doi: 10.1111/cbdd.12143. Epub 2013 Jul 1.
Chem Biol Drug Des. 2013.
PMID: 23581817
A comprehensive conformational analysis of bullacin B, a potent inhibitor of complex I. Molecular dynamics simulations and ab initio calculations.
Bombasaro JA, Masman MF, Santágata LN, Freile ML, Rodríguez AM, Enriz RD.
Bombasaro JA, et al.
J Phys Chem A. 2008 Aug 14;112(32):7426-38. doi: 10.1021/jp801962x. Epub 2008 Jul 24.
J Phys Chem A. 2008.
PMID: 18651725
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An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface.
Bombasaro JA, Zamora MA, Baldoni HA, Enriz RD.
Bombasaro JA, et al.
J Phys Chem A. 2005 Feb 10;109(5):874-84. doi: 10.1021/jp0460386.
J Phys Chem A. 2005.
PMID: 16838959
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Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane.
Suvire FD, Santagata LN, Bombasaro JA, Enriz RD.
Suvire FD, et al. Among authors: bombasaro ja.
J Comput Chem. 2006 Jan 30;27(2):188-202. doi: 10.1002/jcc.20328.
J Comput Chem. 2006.
PMID: 16323160
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Dynamic function of the alkyl spacer of acetogenins as potent inhibitors of mitochondrial complex I. A molecular dynamics simulation approach.
Bombasaro JA, Guisasola EE, Masman MF, Zamora MA, Rodríguez AM.
Bombasaro JA, et al.
Med Chem. 2013 Nov;9(7):926-37. doi: 10.2174/1573406411309070006.
Med Chem. 2013.
PMID: 23106283
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