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Paper Details

The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase.
Sci Rep
2
2022
ESMACS, ROS1 kinase
Author NameAffiliation
Herman W T van Vlijmen
Peter V CoveneyUniversity College London
Peter V CoveneyUniversity College London
Peter V CoveneyInstitute for Informatics, University of Amsterdam
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Datasets

Release 1.2