CESPOC 2018

·  Michael Blackburn (University of Sheffield, Department of Molecular Biology) DFT success and limitations in computing enzyme mechanisms for UDGase, RhoA-RhoGAP GTPase, and arginine kinase

·  Viktor Drgan (National Institute of Chemistry, Slovenia) Modelling the toxicity of small organic compounds using counter-propagation artificial neural networks

·  Sławomir Filipek (University of Warsaw) Modeling of activation and signaling of G Protein-Coupled Receptors. Applications to agonist/antagonist differentiation

·  Sławomir Grabowski (Faculty of Chemistry, University of the Basque Country and Donostia International Physics Center, Spain) Beryllium and magnesium bonds reveal similar properties as hydrogen bond

·  Poul Erik Hansen (Department of Science, Systems and Models, Roskilde University, Denmark) Calculation of Hydrogen bond energies. Can we find new important motifs?

·  Paweł Horeglad (Centre of New Technologies, University of Warsaw) Probing M-CNHC bond in R2MOR (NHC), (M = Al, Ga, In) complexes – from experiment to calculations

·  Martin Jönsson-Niedziółka (IChF PAN, Warszawa) Electrochemistry in motion – simulations and experiments.

·  Gottfried Köhler (Max F. Perutz Laboratories, Austria) Quantitative biophysical chemistry and mathematical modelling of a medically relevant mammalian system

·  Aleksander Koll (Faculty of Chemistry, University of Wrocław) Mechanism and energetics of interaction of carboplatin with DNA

·  Zdzisław Latajka (Faculty of Chemistry, University of Wrocław) Structure, properties and reactivity of the noble gas systems – theoretical analysis

·  Arne Luchow (Institute of Physical Chemistry, Achen University) Electron structure calculations with Quantum Monte Carlo

·  Joanna Niedziółka- Jönsson (IChF PAN, Warszawa) Synthesis and surface modification of plasmonic structures for (bio) sensing

·  Adam Proń (Faculty of Chemistry, Warsaw University of Technology) Hybrids of ternary and quaternary semiconductor nanocrystals with organic and bio-molecules: recent progress and applications.

·  Ilya Shenderovich (University of Regensburg) Branched hydrogen bond structures in condensed matter