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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
J Med Chem. 2021 Nov 25;64(22):16450-16463. doi: 10.1021/acs.jmedchem.1c00313. Epub 2021 Nov 8.
J Med Chem. 2021.
PMID: 34748707
Free article.
Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants?
Lesch V, Heuer A, Tatsis VA, Holm C, Smiatek J.
Lesch V, et al. Among authors: tatsis va.
Phys Chem Chem Phys. 2015 Oct 21;17(39):26049-53. doi: 10.1039/c5cp03838c. Epub 2015 Sep 17.
Phys Chem Chem Phys. 2015.
PMID: 26377364
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Evaluating data mining algorithms using molecular dynamics trajectories.
Tatsis VA, Tjortjis C, Tzirakis P.
Tatsis VA, et al.
Int J Data Min Bioinform. 2013;8(2):169-87. doi: 10.1504/ijdmb.2013.055499.
Int J Data Min Bioinform. 2013.
PMID: 24010266
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Insights into the structure of the PmrD protein with molecular dynamics simulations.
Tatsis VA, Tsoulos IG, Krinas CS, Alexopoulos C, Stavrakoudis A.
Tatsis VA, et al.
Int J Biol Macromol. 2009 Jun 1;44(5):393-9. doi: 10.1016/j.ijbiomac.2009.02.006. Epub 2009 Mar 9.
Int J Biol Macromol. 2009.
PMID: 19428472
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Molecular Dynamics as a pattern recognition tool: an automated process detects peptides that preserve the 3D arrangement of Trypsin's Active Site.
Tatsis VA, Stavrakoudis A, Demetropoulos IN.
Tatsis VA, et al.
Biophys Chem. 2008 Mar;133(1-3):36-44. doi: 10.1016/j.bpc.2007.11.008. Epub 2007 Dec 8.
Biophys Chem. 2008.
PMID: 18177993
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