pKa measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments

Overview of attention for article published in Perspectives in Drug Discovery and Design, November 2018

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@alessio_lodola @london_lab @covid_moonshot @jchodera For pKa, I found a value of 7.0 for an amide with 3,4-thiadiazolylamide and would expect value for Moonshot comp to be higher (less acidic). See SM03 in: https://t.co/TK2tGFZpP3

RT @_Mehtap_Isik_: Our new paper "pKa measurements for the #SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments" discu…

RT @_Mehtap_Isik_: Our new paper "pKa measurements for the #SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments" discu…

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