Community Forum 2017 - Modelling of a covalent inhibitor


This topic is dedicated to the BioExcel Community Forum that takes place in Amsterdam on November 22-23. We are aiming at modelling the three-dimensional structure of a covalent inhibitor of cathepsins using molecular docking with HADDOCK and QM/MM simulations with CPMD.

You are welcome to post here any question, feedback, software or method suggestions related to this project.

You have to be a member of the Integrative Modelling IG to post here, but all posts are public.

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