Dear Colleagues,

FEBS advanced course Computational Approaches to Understanding and 
Engineering Enzyme Catalysis will be held from 19 to 22 October 2021 in 
Oulu / FINLAND in a hybrid way (both PHYSICAL and ONLINE participation is 
possible). 
Registrations are open until 30 June 2021.

For detailed information and application criteria please 
visit the FEBS2021 website
https://computationalenzymeengineering2021.febsevents.org/

The programme is available here:
https://computationalenzymeengineering2021.febsevents.org/programme-features

Five focus topics of the advanced course are:

EBI: 
Rossana Zaru - Enzyme Portal: a portal for enzyme resources at the 
European Bioinformatics Institute (EMBL-EBI) and beyond

MD:
Gerrit Groenhof - An introduction into molecular dynamics simulations 
of proteins

DynaComm:
Silvia Osuna - Conformationally-driven computational enzyme design: 
development and application of correlation-based tools for distal 
active site mutation

PROSS/FuncLib:
Sarel-Jacob Fleishman - (i) Automated design of proteins for high 
expression and stability; (ii) Automated design of efficient and 
functionally diverse enzymes

Caver Web:
Jiri Damborsky - Engineering ligand access pathways


Six complementary lectures are:

Birte Hocker - De novo protein design and its experimental validation

Adrian Mulholland - General Introduction on enzyme engineering and on 
MD-QM/MM calculations for understanding of enzyme-catalyzed reactions

Aleksandra Marsavelski - The EVB method: in silico approach for 
understanding the mechanism of enzyme catalysis

James Fraser - Ensembles of Ensembles: How multiple conformations exist 
within and between protein structures

Reinhard Sterner - Analysis of allostery in a multi-enzyme complex by 
ancestral sequence reconstruction   

Mikael Widersten - Pre-steady state and steady-state kinetics of designed 
enzymes

Best regards,
The Scientific Organizing Committee,
Rikkert Wierenga, Outi Lampela, Tiina Salminen and Aleksandra Marsavelski

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