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New HADDOCK2.4 server coming up

BioExcel and WestLife have supported the work on a complete new design (and machinery) of the HADDOCK portal. The new version (HADDOCK2.4) does support cryo-EM data and will allow multibody docking up to 20 molecules! Description of its implementation is available in Zenodo (DOI:10.5281/zenodo.1252961) as a WestLife project deliverable. We […]


Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

 BioExcel’s webinar series continue with a presentation by Caitlin C. Bannan Mobley Group, UC Irvine – Chemistry Department Register Abstract The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically parameterize molecular mechanics force fields. An important part of this process will be automating chemical perception — […]