From: chemistry-request at
To: chemistry-request at
Date: Mon Jun 14 12:06:59 2021
Subject: 21.10.19 FEBS advanced course Computational Approaches to Understanding and Engineering Enzyme Catalysis
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 
Registrations are open until 30 June 2021.

For detailed information and application criteria please 
visit the FEBS2021 website

The programme is available here:

Five focus topics of the advanced course are:

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

Gerrit Groenhof - An introduction into molecular dynamics simulations 
of proteins

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

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 

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