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    Molecular dynamics simulations of orai reveal how the third transmembrane segment contributes to hydration and ca2+ selectivity in calcium release-activated calcium channels

    , Article Journal of Physical Chemistry B ; Volume 122, Issue 16 , 2018 , Pages 4407-4417 ; 15206106 (ISSN) Alavizargar, A ; Berti, C ; Ejtehadi, M. R ; Furini, S ; Sharif University of Technology
    American Chemical Society  2018
    Abstract
    Calcium release-activated calcium (CRAC) channels open upon depletion of Ca2+ from the endoplasmic reticulum, and when open, they are permeable to a selective flux of calcium ions. The atomic structure of Orai, the pore domain of CRAC channels, from Drosophila melanogaster has revealed many details about conduction and selectivity in this family of ion channels. However, it is still unclear how residues on the third transmembrane helix can affect the conduction properties of the channel. Here, molecular dynamics and Brownian dynamics simulations were employed to analyze how a conserved glutamate residue on the third transmembrane helix (E262) contributes to selectivity. The comparison... 

    A Boolean network control algorithm guided by forward dynamic programming

    , Article PLoS ONE ; Volume 14, Issue 5 , 2019 ; 19326203 (ISSN) Moradi, M ; Goliaei, S ; Foroughmand Araabi, M. H ; Sharif University of Technology
    Public Library of Science  2019
    Abstract
    Control problem in a biological system is the problem of finding an interventional policy for changing the state of the biological system from an undesirable state, e.g. disease, into a desirable healthy state. Boolean networks are utilized as a mathematical model for gene regulatory networks. This paper provides an algorithm to solve the control problem in Boolean networks. The proposed algorithm is implemented and applied on two biological systems: T-cell receptor network and Drosophila melanogaster network. Results show that the proposed algorithm works faster in solving the control problem over these networks, while having similar accuracy, in comparison to previous exact methods. Source...