Professor Todor Dudev

Faculty of Chemistry and Pharmacy

Sofia University

1 James Bourchier Blvd.

1164 Sofia, Bulgaria


tel: +359 2 8161 323

email: t.dudev at


Short Biography

Todor Dudev is a full professor at Sofia University. He leads research in computational methods in Chemistry/Biochemistry. Previously he was a Senior Research Associate at Academia Sinica (Taiwan) and a Postdoctoral Researcher at Tokyo Institute of Technology (Japan). Todor received his doctoral and master’s degrees from Sofia University.

You can find a full CV here.

Areas of Expertise

·        Computational Chemistry/Biochemistry/Biophysics

·        Metals in Biology and Medicine

·        Molecular Modeling

·        Coordination Chemistry

·        Chemoinformatics

·        Infrared and Raman Spectroscopy

·        Teaching / Course Design


Resent Invited Talks

·        Unidad Docente de Quimica Fisica, Universidad de Alcala de Henares, Alcala de Henares, Spain, 2014.

·        Conference on Modeling Interactions in Biomolecules VI, Marianske Lazne, Czech Republic, 2013

·        17th Biophysics Conference, Taipei, Taiwan, 2012

·        Laboratoire de Pharmacochimie Moleculaire et Cellulaire, University Paris – Descartes, France, 2012

·        Structural Bioinformatics Division, Institute Pasteur, Paris, France, 2012

·        Laboratoire de Biochimie Theorique, Institute de Biologie Physico-Chimique, Paris, France, 2012   

·        Conference on Modeling Interactions in Biomolecules V, Kutna Hora, Czech Republic, 2011

·        Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan, 2011

·        2nd Annual International Conference on Computational and Systems Biology, Hangzhou, China, 2010

·        1st Workshop on Multiscale Simulations of Biological Molecules, Taipei, Taiwan, 2010

·        Conference on Modeling Interactions in Biomolecules IV, Hruba Skala, Czech Republic, 2009

·        Conference on Viral Membrane Proteins, Heidelberg, Germany, 2008


Editorial and Review Work

·        Member of the Editorial Board of the journal “Computational Chemistry”, “World Journal of Methodology”, “Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications”

·        Reviewer for “Journal of the American Chemical Society”, “Journal of Physical Chemistry”, “Zeitschrift fur Anorganische und Allgemeine Chemie”, “Journal of Computer-Aided Molecular Design”, “Journal of Molecular Modeling”, “Journal of the Chinese Chemical Society”… and many others.

·        External Grant-Proposal Evaluator for the Research Grants Council of Hong Kong



Recent University Courses Taught

·        2013 Ab initio MO Calculations – Sofia University, Bulgaria

·        2013 Computational Methods in Spectroscopy – Sofia University, Bulgaria

·        2013 Instrumental Methods in Chemistry – Sofia University, Bulgaria

·        2006 Protein Biochemistry – National Yang Ming University, Taiwan

·        2006 Medicinal Chemistry – National Yang Ming University, Taiwan

Distance Learning

Pioneered distance learning in Bulgaria together with a team of other Sofia University researches. Worked as a member of the National Contact Point, National Centre for Distance Education, Subcontractor for Bulgaria of the PHARE Multi-Country Program for Distance Education, 1995-1997. Developed distance learning programs, materials and methodologies that were among the first in Eastern Europe.



One book, 4 book chapters and 74 research papers. Please refer to my CV for a full list.

Some recent papers

T. Dudev and C. Lim, “Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins”, Chem. Rev. 114 (2014) 538-556.

D. Meffre, J. Grenier, S. Bernard, F. Courtin, T. Dudev, G.G. Shackleford, M. Jafarian-Tehrani and C. Massaad, “Wnt and Lithium: a Common Destiny in the Therapy of Nervous System Pathologies?”, Cell. Mol. Life Sci. 71 (2014) 1123-1148.

C.S. Babu, Y.-M. Lee, T. Dudev and C. Lim, “Modeling Zn2+ Release from Metallothionein”, J. Phys. Chem. A 118 (2014) 9244-9252.

T. Dudev, “Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations”, Comp. Chem. 2 (2014) 19-21.

T. Dudev and C. Lim, “Evolution of Eukaryotic Ion Channels: Principles Underlying the Conversion of Ca2+-Selective to Na+-Selective Channels”, J. Am. Chem. Soc. 136 (2014) 3553-3559.

T. Dudev and C. Lim, “Importance of Metal Hydration on the Selectivity of Mg2+ vs. Ca2+ in Magnesium Ion Channels”, J. Am. Chem. Soc. 135 (2013) 17200-17208.

C.S. Babu, T. Dudev and C. Lim, “Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs. Ca2+: Application to Ribonuclease H”, J. Am. Chem. Soc. 135 (2013) 6541-6548.

T. Dudev and C. Lim, “Competition among Ca2+, Mg2+, and Na+ for Model Ion Channel Selectivity Filters: Determinants of Ion Selectivity”, J. Phys. Chem. B 116 (2012) 10703-10714.

T. Dudev and C. Lim, “Why Voltage-Gated Ca2+ and Bacterial Na+ Channels with the Same EEEE Motif in Their Selectivity Filters Confer Opposite Metal Selectivity”, Phys. Chem. Chem. Phys. 14 (2012) 12451-12456.

T. Dudev and C. Lim, “The Effect of Metal Binding on the Characteristic Infrared Band Intensities of Ligands of Biological Interest”, J. Mol. Struct. 1009 (2012) 83-88.


Page last updated Jan 2015