3rd Users' Conference of IT4Innovations

Session

Users` Talks IV - Chairman Jiří Jaroš - Brno University of Technology

6 Nov 2019, 09:30

atrium (IT4Innovations)

5. Toward ab initio protein folding

Dr Martin Culka (Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague)

06/11/2019, 09:30

Users' talks

User's talk

Computer modeling has been quite successful in predicting protein fold from amino acid sequence using similarity patterns in the growing amount of data from structural biology experiments. Moreover, the dynamics of the folding process itself has been simulated in the case of small proteins. The energy landscape of complex protein systems has been usually described by empirical physical models...

18. Helium-based plasma interactions with air molecules

Martin Beseda (IT4Innovations, VSB-TUO)

06/11/2019, 09:45

Users' talks

User's talk

Modeling of cold rare-gas plasmas is currently one of the popular topics in the field of quantum chemistry because of their possible applications in many other fields, e.g. surface treatment, food industry or plasma medicine, with the last being the most interesting to our team. It was shown previously that rare-gas plasmas are well-working in such applications, which resulted in broad...

11. How Do Atomistic Simulations of Huge Biomolecular Complexes Help Us Understand Protein Birth and Death?

Michal H. Kolar (University of Chemistry and Technology)

06/11/2019, 10:00

Users' talks

User's talk

Life is defined by proteins. These key biomolecules have countless functions – from the structural, through signaling to catalytic. A vast majority of proteins in living organisms is synthesized in a biomolecular complex called ribosome. In higher organisms, most of the unneeded proteins are then degraded in other biomolecular complex called proteasome. The size of both complexes is about...