일시: 2020년 12월 22일 오전 11시

연사: 석차옥(Chaok Seok)

장소: 서울대학교 220동 625호 대회의실

제목: Protein Structure Prediction and AlphaFold

초록:

I will introduce the history of protein structure prediction driven by CASP competition and the recent monumental achievement of DeepMind in this field. One of the most interesting questions was that whether protein structures could be predicted by present biological information (protein sequences and structures) alone or not. For the last 26 years of CASP, bioinformatics approaches have been more successful in producing predictions that are more practically useful than physics-based approaches, although some promising results were obtained by molecular dynamics simulations. In a related field of predicting protein interactions represented by CAPRI and another field of predicting protein-ligand interactions, physics-based approaches have been more relevant. The absolute success of AlphaFold in CASP14 proved that protein structures can be predicted by exploiting present biological data at least for proteins forming stable well-defined tertiary structures. An important aspect of AlphaFold seems to be incorporation of physical insights and geometric elements into the architecture of neural network, as mentioned by John Jumper, a leader of AlphaFold team. This is because the current size of the protein structure database (order of 10⁵) is not large enough compared to many other areas on which deep learning has shown great impacts. It remains to be seen how deep learning would change the field of predicting biomolecular interactions involving flexible and disordered molecules and whether virtual, digital cell could be realized in near future, as envisioned by Demis Hassabis, DeepMind CEO.

 

 

연사이력:

1998     Ph.D.    Chemistry, University of Chicago, Chicago, USA

1993     B.S.       Chemistry, Seoul National University, Seoul, Korea

 

2018, 2020                      Advisory board member, CASP (Critical Assessment of techniques for
            protein Structure Prediction); Assessor of “evaluation of model accuracy”

Jan 2017 –                       Editor-in-Chief, Journal of the Korean Chemical Society

Aug 2004 –                     Assistant, Associate, and Full Professor, Department of Chemistry, Seoul National University

Jun 2000 – Jul 2004        Research Associate, Pharmaceutical Chemistry, University of California, San Francisco, USA

Jan 2000 – May 2000       Research Associate, Chemistry, MIT, Cambridge, USA

Jan 1999 – Dec 1999        Research Associate, Chemistry, University of Chicago, Chicago, USA

 

DEVELOPED PROGRAMS AND WEB SERVERS

l  GALAXY protein modeling program package for protein structure prediction, protein-ligand docking, and protein-protein docking

l  GalaxyWEB (http://galaxy.seoklab.org/): Used > 90,000 times as of Dec 2020

 

GOOGLE SCHOLAR

https://scholar.google.co.kr/citations?user=r6K6zAIAAAAJ&hl=ko&oi=ao