CCL: Computational Approaches to Engineering Enzyme Catalysis

 Sent to CCL by: "Aleksandra  Mar  avelski"
 [aleksandra.marsavelski:+:chem.pmf.hr]
 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 program 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 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
 enzymes
 Best regards,
 The Scientific Organizing Committee,
 Rikkert Wierenga, Outi Lampela, Tiina Salminen and Aleksandra Marsavelski