Metadynminer and Metadynreporter
Vojtěch Spiwok from UCT
Biomolecular simulations are computationally expensive calculations. For this reason most simulations nowadays span nanosecond or microsecond time scales. Many interesting processes, such as protein-ligand binding or protein-folding take place in much longer time scales. Metadynamics is one of most popular method developed to accelerate molecular simulations. We have developed an R package Metadynminer for analysis and visualization of the results of metadynamics in popular R statistical package. Furthermore, we provide a Metadynreporter web service via a Galaxy portal.
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
30. 4. at 9:30 – SPCI: Structural and physicochemical interpretation of QSAR models.
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.
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.