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Prezentacije na konferencijama i radionicama

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Istaknute prezentacije na konferencijama i radionicama

Marko Hanževački: AMBER Molecular Dynamics Workshop 2015 (26/04/2015 – 30/04/2015), Haifa, Israel. Poster: „The solvation of transition state structures for HOCl-induced chlorination and hydroxylation of ammonia in water“.

David Smith: Meeting of the Biomimetic Radical Chemistry COST Action CM1201 (08/09/2015 – 11/09/2015) Lodz, Poland. Invited expert lecture “Nonenzymatic ribonucleotide reduction in the prebiotic context”.

Momir Mališ: The 51st Symposium on Theoretical Chemistry: Chemistry in Motion (20/09/2015 - 24/09/2015), Universität Potsdam, Germany. Poster: “Nonradiative deactivation mechanisms of electronically excited phenylalanine in model peptides”

Marko Hanževački: The 7th EAM Symposium (23/11/2015 – 25/11/2015) at Kloster Banz, Bad Staffelstein, Germany. Awarded Poster “Activin Receptor Type IIA Protein Kinase Inhibitors: Free Energy Calculations and Ligand Binding”.

David Smith: The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem 2015, 15/12/2015 - 20/12/2015), Hononulu, Hawaii, USA. (i) Invited lecture entitled “PHYS 1021: Room-temperature ionic liquids at solid interfaces: A combined computational and experimental investigation” and (ii) Contributed presentation entitled “BIOL 332: Non-enzymatic ribonucleotide reduction in the prebiotic context”.

Nađa Došlić: 251st American Chemical Society National Meeting & Exposition (13/03/2016 - 17/03/2016), San Diego, USA. Invited Lecture “PHYS 108: Monitoring the excited state relaxation of complex systems by multi-state non-adiabatic dynamics".

Marko Hanževački: The 30th Molecular Modelling Workshop (04/04/2016 - 06/04/2016), Erlangen, Germany. (i) Contributed Lecture “Activin Receptor Type IIA Protein Kinase Inhibitors: Free Energy Calculations and Ligand Binding” (ii) Poster “Investigation of the effect of β-Cyclodextrin on Peptide Deamidation: A Molecular Dynamics Study”.

David Smith: The 7th Heron Island Conference on Reactive Intermediates and Unusual Molecules (09/07/2106 - 15/07/2016), Heron Island, Australia. (i) Invited Lecture “Radical Intermediates in the Reactions Catalyzed by Coenzyme B12”, (ii) Poster “Non-enzymatic ribonucleotide reduction in the prebiotic context”

Danijela Barić: Workshop on Innovative Surfaces and Materials (28/08/2016 – 31/08/2016), Primošten, Croatia. Invited lecture „Reduction of ribonucleotide in prebiotic conditions“.

Christian Wick: Workshop on Innovative Surfaces and Materials (28/08/2016 – 31/08/2016), Primošten, Croatia. Invited lecture "Semiempirical MO-Theory for Large Systems".

Zlatko Brkljača: Workshop on Innovative Surfaces and Materials (28/08/2016 –31/08/2016), Primošten, Croatia. Contributed lecture "Biomineralization and Biomineralization-Inspired Drug Design: Calcite – Peptide Interactions".

Jurica Novak: Workshop on Innovative Surfaces and Materials (28/08/2016 – 31/08/2016), Primošten, Croatia. Invited lecture "Photodynamics of Retinal Chromophore-Counterion Pairs".

Marko Hanževački: Workshop on Innovative Surfaces and Materials (28/08/2016 – 31/08/2016), Primošten, Croatia. Awarded poster "Activin Receptor Type IIA Protein Kinase Inhibitors: Free Energy Calculations and Ligand Binding".

Marko Hanževački: 8th EAM Symposium, (21/11/2016 - 23/11/2016), Kloster Banz, Bad Staffelstein, Germany. Poster “ Investigation of the effect of β-Cyclodextrin on Peptide Deamidation: A Molecular Dynamics Study”.

Marko Hanževački: 31st Molecular Modeling Workshop (27/03/2017 - 29/03/2017), Erlangen, Germany. Awarded poster “The Influence of Chemical Change on Protein Dynamics: A Case study with Pyruvate Formate-Lyase”.

Luka Bilić: 31st Molecular Modeling Workshop (27/03/2017 - 29/03/2017), Erlangen, Germany. Poster „EP(TMG)3: elusive or synthetically accessible phosphane“.

Christian Wick: 31st Molecular Modeling Workshop (27/03/2017 - 29/03/2017), Erlangen, Germany. Poster „Modelling the reactions catalyzed by B-12 dependent enzymes: accuracy and cost-quality balance.

David Smith: FFSCI on NanoScience-2017 (04/05/2107 - 07/05/2017), Dubrovnik, Croatia. Invited lecture “Computational modelling of nanoscale interactions at the solid/liquid interface”.

Ana-Sunčana Smith: 17th International European Light Microscopy Initiative Meeting (23/05/2017-26/05/2017), Dubrovnik, Croatia. Invited lecture “Membrane fluctuations mediate lateral interactions between cadherin bonds”.

David Smith: WATOC 2017 (27/08/2107 - 01/09/2017), München, Germany. Invited lecture “A Multiscale Computational Investigation of SILP Catalysis: The Water- Gas Shift Reaction“.

Danijela Barić: WATOC 2017 (27/08/2107 - 01/09/2017), München, Germany. Poster „Formation of Deoxyribonucleotide in Prebiotic Conditions“.

Christian Wick: WATOC 2017 (27/08/2107 - 01/09/2017), München, Germany. Poster "Modelling the reactions catalysed by coenzyme B12 dependent enzymes: Accuracy and cost-quality balance".

Marko Hanževački: WATOC 2017 (27/08/2107 - 01/09/2017), München, Germany. Poster “The Influence of Chemical Change on Protein Dynamics: A Case study with Pyruvate Formate-Lyase”.

Marko Hanževački: International Congress Engineering of Advanced Materials (ICEAM2017) (10/10/2107 - 12/10/2017), Erlangen , Germany. Poster „The Influence of Chemical Change on Protein Dynamics: A Case Study with Pyruvate Formate-lyase“.

Luka Bilić: International Congress Engineering of Advanced Materials (ICEAM2017) (10/10/2107 - 12/10/2017), Erlangen , Germany. Poster „QM/MM study of the inactivation of the B12-dependent dehydratases by substrate glycerol“.

Marko Hanževački: 32nd Molecular Modeling Workshop (12/03/2108 - 14/03/2018), Erlangen, Germany. Contributed Lecture: „The Entry of CoA into Enzymes: A Case Study with Pyruvate Formate-Lyase(PFL)“.

Luka Bilić: AMBER Molecular Dynamics Workshop (04/03/2108 - 08/03/2018) Haifa, Israel. Poster „MD and DFT study of glycerol binding in B12-dependent diol dehydratase“.

Luka Bilić: Spring School in Computational Chemistry 2018 (13/03/2108 - 16/03/2018), Helsinki, Finland. Poster „MD and DFT study of glycerol binding in B12-dependent diol dehydratase“.

Marko Hanževački: 11th Congress on Electronic Structure ESPA2018 (17/07/2018-19/07/2018), Toledo, Spain. Poster “The Entry of CoA into Enzymes: A Case Study with Pyruvate Formate-Lyase(PFL)” .
Marko Hanževački: Gordon Research Conference GRC: Computational Chemistry (21/07/2018-27/07/2018), West Dover, VT, USA . Poster “The Entry of CoA into Enzymes: A Case Study with Pyruvate Formate-Lyase (PFL)”.
David Smith: International Conference 17th Ružička Days (19/09/2018 - 21/09/2018), Vukovar, Croatia. Invited lecture “Computational simulations of complex catalysis: From enzymes to chemical reactors“.
Marko Hanževački: University of Nottingham, SPT Group seminar (23/11/2018), UK. Lecture “The Entry of CoA into Enzymes: A Case study with Pyruvat Format-Lyase”.

Računalna rješenja u bioznanostima: Uloga molekulske fleksibilnosti (CompSoLS-MolFlex)

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