Name Rulíšek Lubomír
Position Head of the Senior Research Group


Lubomír Rulíšek, Ph.D., DSc.

Head of the Senior Research Group 

Theoretical bioinorganic chemistry (Dr. L. Rulíšek)
Institute of Organic Chemistry and Biochemistry of the CAS
Flemingovo nám. 2, 166 10 Prague 6, Czech Republic

☎: (+420) 220 183 263

Researcher ID




Professional Experience
2012- Head of the Theoretical Bioinorganic Chemistry Group (Senior Research Group Leader position), IOCB
2007-2012 Head of the Theoretical Bioinorganic Chemistry Group (Junior Research Group Leader position; in the 2012 evaluations by the Int. Advisory Board ranked as ‘1–Excellent’ and promoted to the senior position), IOCB
2004-2006 Head of the Theoretical Chemistry Group under the Dept. of Molecular Modelling, IOCB
2002-2004 Postdoctoral Fellow at the Dept. of Theoretical Chemistry, Lund University, Sweden, under the supervision of Prof. Ulf Ryde
2001-2002 Junior Researcher at the Department of Theoretical Chemistry, IOCB
1995-2001 Ph.D. studies at the Dept. of Theoretical Chemistry, IOCB under the supervision of Dr. Zdeněk Havlas (Thesis ‘Theoretical Studies of Interactions of Transition Metal Ions with Amino Acids and Proteins’.
1990-1995 M.Sc. in Physical Chemistry at the Faculty of Natural Sciences, Department of Physical Chemistry, Charles University, Prague, Czech Republic (Diploma Thesis: ‘A Comparative Study of Planar and Spatial Aromaticity’.
Teaching Experience
2008- MSc. Courses ‘Computer Modelling of Chemical Reactions in Condensed Phase and Biomolecules’, (2008‑) and ‘Chemical Structure B’ (2016‑) Faculty of Science, Charles University, Prague
Research interests
Theoretical bioinorganic chemistry, quantum chemistry, quantum and molecular mechanical (QM/MM) methods, organic reactivity, computational homogeneous catalysis, biomolecular design, protein–ligand interactions, computational electrochemistry, theoretical spectroscopy, conformational sampling
Bibliographic overview
~100 research articles, mostly in leading international journals. LR is the first or corresponding (senior) author of more than 50 papers. 20 papers have been published in top-ranked journals, e.g. J. Am. Chem. Soc. (7), Chem. Eur. J. (9), Chem. Sci. (1), and Proc. Natl. Acad. Sci. U. S. A. (3), whereas recent contributions include one invited perspective (Dalton Trans. 2012) and two invited reviews (Coord. Chem. Rev. 2013, J. Biol. Inorg. Chem. 2016). The work has been cited ~2 750 times (with ~2 070 independent citations, i.e. with all forms of self-citations excluded; source: ISI WoS Core Collection, August 30, 2018). LR’s H-index is 32 (the ‘independent’ H-index is 25).