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DTSTAMP:20260830T222525Z
UID:7d06e02f-a3de-4661-8f6c-4d0792fe7f71
DTSTART:20230613T150000Z
DTEND:20230613T160000Z
DESCRIPTION:BioExcel\, the leading European Centre of Excellence for comput
 ational biomolecular research\, aims to support Life Science academic and 
 industrial researchers in the effective use of HPC biomolecular software a
 nd continues BioExcel’s webinar series with its top experts in biomolecu
 lar modelling and simulations tools. Welcome! Webinar: A Virtual Research
  Environment for Integrative Modelling of Biomolecular Complexes with the 
 New Modular Version of HADDOCK Date:June 13\, 2023Time:15:00 CEST (Centr
 al European Summer Time) UTC/GMT + 2h 16:00 EEST (Eastern European Summe
 r Time) UTC/GMT + 3 h Please do not forget to take into consideration the
  different time zones of joining the webinar!Duration:1 hourTool:ZOOM (ins
 tall the latest Zoom application before the webinar via https://zoom.us/d
 ownload) AbstractThe prediction of the quaternary structure of biomolecul
 ar macromolecules is of paramount importance for fundamental understanding
  of cellular processes and drug design. In the era of integrative structur
 al biology\, one way of increasing the accuracy of modelling methods used 
 to predict the structure of biomolecular complexes is to include as much e
 xperimental or predictive information as possible in the process. We have 
 developed for this purpose a versatile information-driven docking approach
  HADDOCK (https://www.bonvinlab.org/software) available as a web service a
 t https://wenmr.science.uu.nl/haddock2.4. HADDOCK can integrate informatio
 n derived from biochemical\, biophysical or bioinformatics methods to guid
 e the modelling. In the context of the BioExcel Center of Excellence for 
 Computational Biomolecular Research (https://bioexcel.eu)\, we have develo
 ped HADDOCK3\, the new modular version of HADDOCK. It represents a redesig
 n of the HADDOCK2.X series\, implementing new ways to interact with the HA
 DDOCK sub-routines and offering more customization. Users can create custo
 m workflows by combining different modules\, thus making the workflows tai
 lored to their specific needs. HADDOCK3 has therefore developed to truthfu
 lly work like a puzzle of many pieces (simulation modules) that users can 
 combine to more accurately model their systems. The HADDOCK3 workflows are
  defined in straightforward configuration files\, similar to the TOML form
 at (also supported).   In order to facilitate the use of HADDOCK3\, in c
 ollaboration with the Netherlands eScience Center (https://www.esciencecen
 ter.nl) we are developing a customizable\, interactive\, HTC/Cloud (and HP
 C)-optimized and reusable Virtual Research Environment (VRE) for Integrati
 ve Modelling of Biomolecular Complexes (https://github.com/i-VRESSE). By i
 ntegrating all steps involved in studying biomolecular interactions\, this
  VRE will lower the steep learning curve for researchers and students from
  different fields and contribute to reproducible research and FAIR sharing
  of data. In this webinar\, I will introduce HADDOCK3 and discuss the stat
 us of the Virtual Research Environment for Integrative Modelling of Biomol
 ecular Complexes.  PresentersAlexandre Bonvin (Professor of Computational
  Structural Biology)More information on the presenter in the presenters t
 ab!RegistrationPlease register below! You will then receive a confirmation
  email with details of how you can connect to the webinar. 
LOCATION:Online
SUMMARY:BioExcel Webinar: A Virtual Research Environment for Integrative Mo
 delling of Biomolecular Complexes with the New Modular Version of HADDOCK
URL;VALUE=URI:https://ssl.eventilla.com/bioexcelhaddock3
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