Presentation Information

[K5-01]Using machine learning for predicting protonation states and understanding the role of protonation states for ion channel selectivity via ion modulated changes of selectivity filter pKa values

*Bernard R Brooks1, Ada Y Chen1,2, Ana Damjanovic2 (1. National Heart, Lung, and Blood Institute (United States of America), 2. John Hopkins University (United States of America))

Keywords:

pKa prediction,machine learning,protonation states,ion channel,selectivity