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SUMMARY:UNICORN (UNIted COarse gRaiNed) Force Field - Dr Adam Sieradzan\, 
 University of Gdańsk
DTSTART:20221019T133000Z
DTEND:20221019T143000Z
UID:TALK176516@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:UNited RESidue (UNRES) is a well-established force field for p
 rotein simulation. It has been constantly developed for over 30 years. UNR
 ES is a highly reduced physics-based model\, which has been very successfu
 l in the prediction of protein structure\, studying the mechanisms and kin
 etics of protein folding\, as well as in investigating biological processe
 s. In 2013 the UNRES model was adapted to nucleic acids resulting in the c
 reation of the NARES-2P force field. Recently\, the SUGRES-1P force field 
 for sugars was developed. However\, the interactions between cellular comp
 onents we missing. In 2018 interactions between the nucleic acids and prot
 eins were introduced. This started a new force field - UNIted COarse gRaiN
 ed (UNICORN) force field for all the most important cellular components: p
 roteins\, nucleic acids\, sugars\, lipids\, and ions (Figure 1). In the pr
 esentation\, the UNICORN model will be discussed\, and the current state o
 f the UNICORN development (Fig. 1) will be shown with a description of cur
 rent biological applications and limits. This work was supported by NCN PR
 ELUDIUM 2017/27/N/ST4/01907 and NCN OPUS 2017/27/B/ST4/00926.
LOCATION:Wolfson Lecture Theatre\, Dept of Chemistry and Zoom
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