pK a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments.
Mehtap IsikDorothy LevorseAriën S. RustenburgIkenna E. NdukweHeather WangXiao WangMikhail Y. ReibarkhGary E. MartinAlexey A. MakarovDavid L. MobleyTimothy RhodesJohn D. ChoderaPublished in: J. Comput. Aided Mol. Des. (2018)