GROMACS 2018 workshop in Gottingen
The 2018 GROMACS workshop was held in Gottingen aimed at people willing to develop new tools for GROMACS, as well as at experienced users
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AuthorMichelle Mendonca
An enhanced-sampling MD-based protocol for molecular docking
This paper was published in BioRxiv in October 2018. Abstract Understanding molecular recognition of proteins by small molecules is key for drug design.
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Hear from our 2018 SIG Meeting travel grant beneficiaries
For each of our BioExcel training events we make a limited number of travel bursaries available. We ask the beneficiaries of the BioExcel
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Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.
Abstract Recently we published PROtein binDIng enerGY (PRODIGY), a web-server for the prediction of binding affinity in protein–protein complexes. By using a combination
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Protein-ligand pose and affinity prediction. Lessons from D3R Grand Challenge 3.
Abstract We report the performance of HADDOCK in the 2018 iteration of the Grand Challenge organised by the D3R consortium. Building on the
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Targeting RNA structure in SMNS reverses spinal muscular atrophy molecular phenotypes.
This paper was published in Nature Communications in May 2018. Abstract Modification of SMN2 exon 7 (E7) splicing is a validated therapeutic strategy against spinal
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