CCL: Computational Approaches to Engineering Enzyme Catalysis

 Sent to CCL by: "Aleksandra  Mar  avelski"
 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 program 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 the 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