SPCI: Structural and physicochemical interpretation of QSAR modelsPavel Polishchuk from UPOL The SPCI tool enables automatic building of quantitative structure-activity relationship (QSAR) models and their interpretation. Interpretation is performed in terms of contribution of individual atoms or substructures into the modeling activity which information can be used for molecule optimization and visualization of structure-activity relationship captured by a model to better understand decision making of a model. The tool is available online https://spci.imtm.cz as well as a standalone application. 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 needed Future webinars 7. 5. at 9:30 FireProt: Computational tool for the design of stable proteins.14. 5. at 9:30 2DProts: Family-wide 2D diagrams of protein secondary structure.21. 5. at 9:30 Traveler: visualization of secondary structure of RNA molecules.28. 5. at 9:30 cpPredictor: template based prediction of RNA secondary structures. 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.
ELIXIR and Galaxy ProjectMartin Čech from IOCBGalaxy is a tool that assists scientists with making their software pipelines reproducible, portable, and easy to share. This session presents a 10,000 feet overview of the Galaxy Project what it is, what it
projít na článekNucleic Acid Conformations (dnatco.datmos.org)Jiří Černý from BTUA detailed description of the dnatco.datmos.org web server implementing the universal structural alphabet of nucleic acids will be presented. The web server performs an assignment of the nuc
projít na článekAmtDB database of ancient human full mitogenomes and sample metadataEdvard Ehler from IMGOur AmtDB (https://amtdb.org/) represents today the most complete open online source of aDNA samples (mitogenomes) and additional information about the samples, thei
projít na článekMetadynminer and MetadynreporterVojtěch Spiwok from UCTBiomolecular simulations are computationally expensive calculations. For this reason most simulations nowadays span nanosecond or microsecond time scales. Many interesting processes, such as protein-l
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 článek