From owner-chemistry-: at :-ccl.net Mon Jun 14 12:54:00 2021 From: "Aleksandra Mar avelski aleksandra.marsavelski-*-chem.pmf.hr" To: CCL Subject: CCL: Computational Approaches to Engineering Enzyme Catalysis Message-Id: <-54396-210614124320-25037-6zhaOP6jbg/PL3KtBdsqUg^_^server.ccl.net> X-Original-From: "Aleksandra Mar avelski" Date: Mon, 14 Jun 2021 12:43:18 -0400 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