Education

MSc, Informational Systems 2011
Open Hellenic University, Greece

Advisor: Prof. Dimitris Kalles

PhD, Chemistry Dept. 2007
University of Ioannina, Greece

Advisor: Prof. Ioannis Demetropoulos

MSc, Chemistry Dept. 2005
University of Ioannina, Greece

Advisor: Prof. Ioannis Demetropoulos

BSc, Chemistry Dept. 2003
University of Ioannina, Greece

Research

Heuer Lab 2013-2014

Postdoctoral Researcher, Westfälische Wilhelms-Universität Münster
Theory of Complex Systems, Institute of Physical Chemistry

Liu Lab October 2014

Visiting Fellow, Tsinghua University
Chemistry Dept.

Gaigeot Lab 2011-2013

Postdoctoral Researcher, University of Évry Val d'Essonne
Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Gresh Lab Winter 2009

Visiting Fellow, UPMC (Paris)
Laboratoire de Pharmacochimie Moléculaire et Cellulaire

Teaching

Dept. of Informatics Telecommunications Engineering
University of Western Macedonia, Greece 2013-2014

Adjunct Lecturer
Classes taught: Software engineering, C/Java programming, Introduction to database systems

Publications

Original Research

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials, Med. Chem. 2021, 64 (22) 16450–16463

Lesch V, Heuer A, Tatsis VA, Holm C, and Smiatek J "Peptides in Presence of Aqueous Ionic Liquids: Tunable Co-Solutes as Denaturants or Protectants", Physical Chemistry Chemical Physics, 2015, 17: 26049-26053

Tatsis VA, Tjortjis C, Tzirakis P "Evaluating data mining methods using molecular dynamics trajectories", International Journal of Data Mining and Bioinformatics, 2013, 8(2): 169-187

Tatsis VA, Tsoulos IG, Krinas CS, Alexopoulos C, Stavrakoudis A "Insights into the structure of the PmrD protein with molecular dynamics simulations", International Journal of Biological Macromolecules, 2009, 44(1): 393-399

Tatsis VA, Tsoulos IG, Stavrakoudis A "Molecular Dynamics Simulations of the TSSPSAD Peptide Antigen in Free and Bound with CAMPATH-1H Fab Antibody States: The importance of the β-turn Conformation", International Journal of Peptide Research and Theurapeutics, 2009, 15(1): 1-9

Tatsis VA, Stavrakoudis A, Demetropoulos IND "Molecular Dynamics as a pattern recognition tool: An automated process detects peptides that preserve the 3D arrangement of Trypsin's Active Site", Biophysical Chemistry, 2008, 133 (1-3): 36-44

Tatsis VA, Stavrakoudis A, Demetropoulos IND "LysinebasedTrypsinActSite(LysTAS): A configurational tool of the TINKER software to evaluate Lysine based branched cyclic peptides as potential chymotrypsin-mimetics", Molecular Simulation, 2006, 32 (8): 643-64

Book Chapter(s)

Georgas A, Kalles D, Tatsis VA "Grid-enabled scientific workflows for machine learning based investigation of board games", Encyclopedia of Business Analytics and Optimization, 2014

Presentations

Conference Presentations & Posters

Tatsis VA and Gaigeot M-P "Insights into the conformational dynamics of the aqueous alanine-lysine charged dipeptide with Car Parinello Molecular Dynamics", High Performance Computing TAM meeting, June 2010, Helsinki

Tatsis VA and Demetropoulos IND "Grid-LysinebasedTrypsinActSite (Grid_LysTAS): A grid-enabled version of the program to evaluate branched cyclic peptides as potential chymotrypsin-mimetics", 1st HellasGrid User Forum, January 2008, Athens

Tatsis VA and Heuer A "Insights into the thermodynamic profile of “mutated” Cytosine rich DNA strands: A theoretical study", Deutsche Physikalische Gesellschaft Frühjahrstagung, March-April 2014, Dresden

Tatsis VA and Gaigeot M-P "Constant pH Molecular Dynamics in explicit solvent", 13e Rencontre des Chimistes Théoriciens Francophones,July 2012, Marseille

Tatsis VA and Gaigeot M-P "Developpement de dynamiques moleculaires classiques a pH Constant. Applications aux peptides dans l'eau", Journée Modélisation, June 2012, Paris

Patakakis K., Georgiadis L. and Tatsis VA "Dynamic Dominators in Practice", 15th Pan-Hellenic Conference on Informatics, Oct 2011, Kastoria, Greece

Tatsis VA, Dimakopoulos KD, Kiropoulou O, Papageorgiou DG, and Demetropoulos IND "Grid-enabled Chemoinformatics: LysTAS and TRBD." 12th Pan-Hellenic Conference on Informatics, August 2008, Samos Island, Greece

Code

Open-source projects

Lig3DLens: An open source ligand-based 3D virtual screening toolbox blogpost and code

Technical Skills and Languages

CADD tools: ICM MolSoft / Cresset / Schrödinger (Maestro) / OpenEye
Cheminformatics: RDKit / OpenEye toolkits / KNIME
Physics-based simulations: Gromacs / NAMD (VMD) / Tinker / PLUMED
QM packages: Spartan / GAMESS / GAUSSIAN
Programming: C / Fortran90 / Python / PyTorch (Lightning) / scikit-learn (🐼)
Fluent English, intermediate French, beginner German, and native Greek!

Updated February 2024