Group for Computational Life Sciences

The research interests of the Group for Computational Life Sciences include: (1) The influence of molecular flexibility on (a) the properties and spectroscopy of peptides, (b) the structure and function of proteins, and (c) enzymatic catalysis; (2) The development of the theoretical basis for calculating photoionization spectra of molecules in excited states, with application to biomolecular chromophores; (3) The study of the interaction of functional molecules (hormones, ligands) with biological surfaces (membranes, epithelial tissues, biocompatible crystals); (4) New approaches to studying electron transfer in aqueous solutions; (5) The computational design of new materials.

Borislav Kovačević


dr. Borislav Kovačević

+385 1 457 1385
Fax: + 385 1 468 0104
left right

Group for Computational Life Sciences brings together a team of researchers with complementary expertise in computational and theoretical chemistry, biochemistry and biophysics. We are engaged in diverse research projects that connect a wide range of spatial and temporal scales, where electronic and molecular interactions govern cooperative behaviour of complex systems. Scientists that comprise the Group cover the desired range of expertise, such as quantum chemistry (QM), classical molecular dynamics (MD), multiscale hybrid QM/MD approaches and techniques for computing free energy, non-adiabatic dynamics, photochemistry, perturbative quantum mechanical methods, mathematical chemistry, stochastic dynamics, partial differential equations, Langevin formalism, Monte Carlo simulation, Lattice Boltzmann methods and image analysis

The group was formed in 2016 by uniting the Theoretical Chemistry Group and the majority of scientists from the Group for Quantum Organic Chemistry.

Borislav Kovačević

senior research associate
Head of Division, Group leader
+385 1 457 1385

Ivan Ljubić
Dr. Sc.

Research associate

Ines Despotović
dr. sc.

Research Associate
+385 1 456 0951

Darko Babić

visi znanstveni suradnik
+385 1 456 1031

Nađa Došlić

senior scientist
+385 1 456 1038

Danijela Barić

Senior Research Associate
+385 1 457 1385

Marko-Tomislav Cvitaš
dr. sc.

research associate
+385 1 468 0095

Ana Sunčana Smith

+385 1 457 1366
1675 1382

Marko Hanževački
M. Sc.

Research Associate
PhD Student
+385 1 457 1371
1904 1905

Željka Medven Korman

+385 1 457 1371

Josip Vlajčević
dipl. ing.

+385 1 457 1373
1906 1905

Radha Dilip Banhatti

+385 1 457 1373

Nikolina Bošnjak

+385 1 457 1371
Computational Solutions in the Life Sciences: The Importance of Molecular Flexibility (CompSoLS-MolFlex)

Computational Solutions in the Life Sciences: The Importance of Molecular Flexibility (CompSoLS-MolFlex)

Glavni istraživač / voditelj: David Matthew Smith

CompSoLS-MolFlex utilizes state-of-the-art computational techniques to address the importance of molecular flexibility across a range of carefully selected examples from the life sciences.

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