34th IUPAP Conference on Computational Physics(CCP2023)

講演情報

Keynote talk

Keynote

Bernard R Brooks

2023年8月7日(月) 09:50 〜 10:30 301 (Room 2) (3F)

Chair: Michael Klein (Institute for Computational Molecular Science, Temple University)

09:50 〜 10:30

[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))

On-demand video

キーワード:pKa prediction, machine learning, protonation states, ion channel, selectivity

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