[institut] SCL Seminar: Stefan Milenković, Friday, 27 December, 11:00

[Nenad Vukmirovic]

Dear colleagues,

You are cordially invited to the SCL seminar of the Center for the Study
of Complex Systems, which will be held on Friday, 27 December 2019 at
11:00 in the library reading room “Dr Dragan Popović" of the Institute
of Physics Belgrade. The talk entitled

Sodium transport in mammalian two-pore channels

will be given by Dr Stefan Milenković (University of Cagliari, Italy).
Abstract of the talk:

Although being in focus in the last decades, two-pore channels (TPCs)
remain partially comprehended. Their importance for vacuolar (plants)
and organellar (animals) function highlights them as a very attractive
to study, both theoretically and experimentally. A particular boost for
theoretical examinations has been made with recent, high-resolution
x-ray and cryo-EM structures. These findings have enabled for efficient
and precise computational studies at atomistic level. Here we report a
set of simulations performed on a mammalian TPC1, a voltage and ligand
gated sodium selective channel. The simulations were used for a thorough
analysis of the TPC1 behavior in presence and absence of ligand
(PtdIns(3,5)P2), with a special accent on the TPC1’s bottleneck,
hydrophobic (HF) gate. Moreover, we have described a potential passage
of sodium ions through the HF gate by means of metadynamics (MTD)
simulations and estimated the sodium conductance. Estimated
computationally, this conductance is in excellent agreement with its
experimental value.

Graphical abstract:


Best regards,
Nenad Vukmirović

-- 
Dr Nenad Vukmirović
Research Professor
Scientific Computing Laboratory
Center for the Study of Complex Systems
Insitute of Physics Belgrade
Pregrevica 118, 11080 Belgrade, Serbia
URL: http://www.scl.rs/nenad
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