gustav Bernroider

Dr. gustav Bernroider


Research Focus & Metrics

Academic Career Length

5Years (2022-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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24 November 2022 in Membranes
Verified
Journal Article
Open access
PDF file
JSJohann Summhammer
Johann Summhammer
GSGeorg Sulyok
Georg Sulyok
GBgustav Bernroider
gustav Bernroider
Massimo CocchiMassimo Cocchi
Massimo Cocchi
We provide a high resolution, all-atom, femto-second molecular dynamics (MD) simulation of the passage of K+ ions and H2O molecules through the selectivity filter of the KcsA potassium ion channel, based on first principle physical methods. Our results show that a change in the length of the selectivity filter of as little as 3%, regardless of whether the filter is made longer or shorter, will reduce the K+ ion current by around 50%. In addition, further squeezing or stretching by about 9% can effectively stop the current. Our results demonstrate optimized conformational dynamics that associate an increased mobility of parts in the filter linings with a standard configuration, leading to maximized conduction rates that are highly sensitive to geometrical distortions. We discuss this latter aspect in relation to lateral membrane effects on the filter region of ion channels and the ‘force from lipids’ hypothesis.