3,736 results found
    1. Cancer Biology
    2. Computational and Systems Biology

    Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer

    Stephanie Berger et al.
    Six computationally designed and in vitro optimized protein inhibitors serve as molecular probes to reveal BCL2 profiles of different human cancers.
    1. Computational and Systems Biology
    2. Immunology and Inflammation

    Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens

    George Ueda et al.
    De novo protein nanoparticles were designed from scratch to present viral glycoprotein antigens, providing a systematic way to study the influence of antigen presentation geometry on immune response.
    1. Biochemistry and Chemical Biology
    2. Computational and Systems Biology

    Computational design of environmental sensors for the potent opioid fentanyl

    Matthew J Bick et al.
    State-of-the-art computational methods have facilitated the construction of plant-based sentinels for detecting toxic molecules in the environment.
    1. Structural Biology and Molecular Biophysics
    2. Computational and Systems Biology

    Precise assembly of complex beta sheet topologies from de novo designed building blocks

    Indigo Chris King et al.
    Protein structures with complex topologies can be designed by recombining small independently folded domains.
    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. Computational and Systems Biology
    2. Structural Biology and Molecular Biophysics

    Computational design of thermostabilizing point mutations for G protein-coupled receptors

    Petr Popov et al.
    A comprehensive approach to prediction of stabilizing mutations in G-protein coupled receptors yields high hit rate and crystal structures of 5HT2C in both active and inactive states.
    1. Structural Biology and Molecular Biophysics

    De novo design of a homo-trimeric amantadine-binding protein

    Jooyoung Park et al.
    The first successful de novo design of a homo-trimeric protein that binds a C3 symmetric small molecule larger than a metal ion is an advance for computational protein design.
    1. Structural Biology and Molecular Biophysics
    2. Immunology and Inflammation

    Computationally-driven identification of antibody epitopes

    Casey K Hua et al.
    The combination of computational modeling and protein design can reveal key determinants of antibody‚Äďantigen binding and optimize small sets of antigen variants for efficient experimental localization of epitopes.
    1. Neuroscience

    Temporally delayed linear modelling (TDLM) measures replay in both animals and humans

    Yunzhe Liu et al.
    Temporally delayed linear modelling provides a domain-general linear framework for sequence detection and statistical testing, and is able to detect replays in both human neuroimaging and animal electrophysiology.
    1. Neuroscience

    Brian 2, an intuitive and efficient neural simulator

    Marcel Stimberg et al.
    Brian 2 is a software package for neural simulations that makes it both easy and computationally efficient to define original models for computational experiment.

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