Approximation of collective variables by neural networks AnncolvarVojtech Spiwok from UCTMany methods have been developed to accelerate molecular dynamics simulations. Some of these methods are based on artificial forces applied on certain descriptors of the molecular systems, also known as collective variables. Some potentially useful collective variables are impossible or difficult to calculate on-the-fly during a simulation. To solve this problem we developed a package for approximation of a collective variable using a neural network. This package was demonstrated on metadynamics simulation of mini-protein folding.Meet us online every friday morning to explore the portfolio of ELIXIR CZ tools and services at https://global.gotomeeting.com/join/508817845 .Registration is not neededFuture webinars 24. 9. at 9:30 – SBC: an R package for simulation-based calibration and validation of statistical models and algorithms. 1. 10. at 9:30 – to be defined later. 8. 10. at 9:30 – MOLE: Analysis of Protein Channels.15. 10. at 9:30 – ACC II: Calculation of partial atomic chages.Take a look at the webinar and give us your feedback.Please note that online session will be recorded and may be used on ELIXIR CZ website, social media, in ELIXIR CZ e-publications and any other ELIXIR CZ online materials.
PhyloFisher: A phylogenomic package for resolving eukaryotic relationshipsMartin Kolisko, Matthew W Brown from BC, JUMeet us online every friday morning to explore the portfolio of ELIXIR CZ tools and services at https://global.gotomeeting.com/join/508817
projít na článekOpenPonk: an Open Conceptual Modelling PlatformRobert Pergl, Jan Blizničenko from CTUOpenPonk is an open platform for conceptual modelling. It offers several notations for structural and behavioural modelling, but most importantly, it is open for extendin
projít na článekWe are sorry to inform you that due to ELIXIR CZ Annual Conference 2021 we need to skip a usual service introduction on Friday, 26 November. Join us for the conference, registration is open until 11 November, or have a look on our video library on YouTube
projít na článekPrankWebMarian Novotný from UKPrankWeb (https://prankweb.cz/) is a tool predicting ligand binding sites on 3D structures using machine learning algorithms. The tool is integrated into the PDBe-KB. We will present both its current state and its future deve
projít na článekAfter the summer break, the series of webinars introducing our services is back. Learn about tools and databases developed by ELIXIR CZ, which have great potential to help you in your daily research work. Every Friday at 9:30am, you can have a closer look
projít na článek