4,733 results found
    1. Computational and Systems Biology
    2. Structural Biology and Molecular Biophysics

    Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding

    Xianqiang Sun et al.
    Combining powerful simulation methods uncovers the structural and dynamical changes driving G protein activation in atomic detail, revealing the allosteric network that triggers GDP release and reconciling diverse experimental data.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Regulation of multispanning membrane protein topology via post-translational annealing

    Reid C Van Lehn et al.
    Coarse-grained modeling reveals a new mechanism for multispanning membrane protein topogenesis, in which misintegrated configurations of the proteins undergo post-translational annealing to reach final, fully integrated multispanning topologies.
    1. Structural Biology and Molecular Biophysics

    Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations

    Tone Bengtsen et al.
    Molecular simulations, small-angle X-ray and neutron scattering experiments and previously measured NMR experiments were combined to study the structure and dynamics of the proteins and lipids in a nanodisc.
    1. Biochemistry and Chemical Biology

    The dynamic conformational landscape of the protein methyltransferase SETD8

    Shi Chen et al.
    Integrated experimental-computational approaches were implemented to reveal the dynamic conformational landscape of a biologically relevant protein methyltransferase SETD8 for functional annotation.
    1. Biochemistry and Chemical Biology
    2. Evolutionary Biology

    Protein sequences bound to mineral surfaces persist into deep time

    Beatrice Demarchi et al.
    A chemically unstable ostrich eggshell peptide survives for at least 3.8 million years at the equator, stabilized by strong mineral interactions.
    1. Structural Biology and Molecular Biophysics

    Structural basis for the reaction cycle of DASS dicarboxylate transporters

    David B Sauer et al.
    Structures of multiple states of two dicarboxylate transporters explain the conformational changes needed for substrate import.
    1. Structural Biology and Molecular Biophysics
    2. Computational and Systems Biology

    Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol

    Moutusi Manna et al.
    Atomistic simulations reveal how lipids can allosterically modulate membrane receptors.
    1. Computational and Systems Biology
    2. Neuroscience

    Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions

    Yanxian Lin et al.
    Liquid-liquid phase separation of tau is demonstrated to be an equilibrium state, stable only within a narrow range near physiological conditions, and thus has the capacity to regulate biological processes.
    1. Structural Biology and Molecular Biophysics
    2. Computational and Systems Biology

    Kinesin motility is driven by subdomain dynamics

    Wonmuk Hwang et al.
    The motor protein kinesin utilizes its fuel molecule by active and concerted motions of its subdomains, while it rapidly interacts with the microtubule track by forming a wet and dynamic interface.
    1. Structural Biology and Molecular Biophysics
    2. Computational and Systems Biology

    CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling

    C Keith Cassidy et al.
    An atomic model of the bacterial chemosensory array obtained through the synthesis of cryo-electron tomography and large-scale molecular-dynamics simulations reveals a new kinase conformation during signaling events.

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