Seminarium z fizyki biologicznej i bioinformatyki
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2023-10-11 (15:15) 
Prof. Cecilia Clementi (Einstein Professor - Freie Universität Berlin, Department of Physics, Berlin, Germany and Rice University, Department of Physics, Houston, USA)
Machine learning coarse-grained potentials of protein thermodynamics
https://zoom.us/j/91976153012?pwd=azNiMWE4UnhPN3lRQlY2UHZHOXVkQT09
Meeting ID: 919 7615 3012
Passcode: 747922
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Bogdan Lesyng (UW)
Anna Niedźwiecka (IF PAN)
Piotr Zielenkiewicz (IBB)
AbstractMolecular Dynamic simulations are becoming a standard tool to characterizeprotein dynamics. Despite the significant progress and impressive resultsobtained utilizing atomic-level force fields, simulations longer thanmilliseconds are still unfeasible for large protein systems. We presentrecent results on the developments of protein models at reduced resolutionthat can still well reproduce a protein configurational landscape but at asmall fraction of the cost. We discuss the method development and theresults, and we present a quantitative comparison of the thermodynamic anddynamic properties of different macromolecular systems at differentresolutions.
Meeting ID: 919 7615 3012
Passcode: 747922
One tap mobile
+48223073488,,91976153012#,,,,*747922# Poland
+48223987356,,91976153012#,,,,*747922# Poland
Dial by your location
+48 22 307 3488 Poland
+48 22 398 7356 Poland
+48 22 306 5342 Poland
Bogdan Lesyng (UW)
Anna Niedźwiecka (IF PAN)
Piotr Zielenkiewicz (IBB)
AbstractMolecular Dynamic simulations are becoming a standard tool to characterizeprotein dynamics. Despite the significant progress and impressive resultsobtained utilizing atomic-level force fields, simulations longer thanmilliseconds are still unfeasible for large protein systems. We presentrecent results on the developments of protein models at reduced resolutionthat can still well reproduce a protein configurational landscape but at asmall fraction of the cost. We discuss the method development and theresults, and we present a quantitative comparison of the thermodynamic anddynamic properties of different macromolecular systems at differentresolutions.