General information

School on molecular computational biochemistry


It is our pleasure to invite you to 4-day long school on molecular computational biochemistry that will take on 11-14 March place in the Jerzy Haber Institute of Catalysis and Surface Chemistry in Kraków. The school is dedicated to PhD students and advanced undergraduate students with interest in computational methods used to study molecular phenomena of biochemistry and biophysics.

The lecturers at the school will be (in alphabetic order):

·         Margareta Blomberg, Stockholm University, Sweden,

·         Łukasz Ćwiklik, J. Heyrovsky Institute of Physical Chemistry, Czech Academy of Sciences, Czech Republic,

·         Artur Góra, Silesian University of Technology, Poland,

·         Fahmi Himo, Stockholm University, Sweden,

·         Wojciech Płaziński, ICSC PAS, Poland,

·         Lubomir Rulisek, Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Czech Republic,

·         Ulf Ryde, Lund University, Sweden,

·         Andrzej Sokalski, Wrocław University of Science and Technology, Poland,

·         Martin Srnec, J. Heyrovsky Institute of Physical Chemistry, Czech Academy of Sciences, Czech Republic,

·         Matthias Stain, Max Planck Institute for Dynamics of Complex Technical Systems, Germany,

·         Sam de Visser, The University of Manchester, Great Britain.


The lecture topics (all in English) will include:

·         MD simulations of Biosystems,

·         MD enhanced sampling methods,

·         Modeling Enantioselectivity in Enzymes,

·         method for protein tunnels and cavity exploration,

·         Transition State Theory & Concepts in (bio)catalysis,

·         Solvation models,

·         Electrostatics of molecular interactions,

·         Nonempirical techniques aiding drug and biocatalyst design,

·         Reaction mechanisms including electron and proton uptake in Heme-Copper Oxidases,

·         Valence Bond method and Spin-state reactivity,

·         QM/MM methods, their application to metalloenzymes and their combination with experimental methods.


Apply by 8th February by filling and sending a participation form available at this link.


All questions related to the school should be addressed at:


For students from outside Poland there are stipends available from the PROM programme to cover fee, travel and stay costs. More information on this is available here  PROM - Announcement 12.02.2019.