221 results found
    1. Structural Biology and Molecular Biophysics

    Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments

    Jessica Flowers, Nathaniel Echols ... Stephanie A Wankowicz
    Not revised
    Reviewed Preprint v1
    • Valuable
    • Solid
    • Incomplete
    1. Structural Biology and Molecular Biophysics

    An integrated machine learning approach delineates an entropic expansion mechanism for the binding of a small molecule to α-synuclein

    Sneha Menon, Subinoy Adhikari, Jagannath Mondal
    Interaction of small molecule expands the conformational ensemble of alpha synuclein.
    1. Structural Biology and Molecular Biophysics

    Protonation/deprotonation-driven switch for the redox stability of low-potential [4Fe-4S] ferredoxin

    Kei Wada, Kenji Kobayashi ... Masaki Unno
    Revised
    Reviewed Preprint v2
    Updated
    • Fundamental
    • Compelling
    1. Structural Biology and Molecular Biophysics

    Water and chloride as allosteric inhibitors in WNK kinase osmosensing

    Liliana R Teixeira, Radha Akella ... Elizabeth J Goldsmith
    WNKs sense osmotic pressure by binding specific water molecules to the inactive dimeric configuration of WNK1 and WNK3, integrating signals with chloride inhibition as demonstrated by mutagenesis and structure.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    A conformational fingerprint for amyloidogenic light chains

    Cristina Paissoni, Sarita Puri ... Carlo Camilloni
    Not revised
    Reviewed Preprint v1
    • Important
    • Convincing
    • Incomplete
    1. Biochemistry and Chemical Biology

    Disordered proteins interact with the chemical environment to tune their protective function during drying

    Shraddha KC, Kenny H Nguyen ... Thomas C Boothby
    The ability of intrinsically disordered proteins to protect sensitive enzymes during drying can be tuned through interactions with cosolutes.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Isobaric crosslinking mass spectrometry technology for studying conformational and structural changes in proteins and complexes

    Jie Luo, Jeff Ranish
    A novel pair of isobaric crosslinking reagents is described, which allow relative quantification of crosslinker-modified peptides during mass spectrometry analysis for comparative structural studies of proteins and protein complexes.
    1. Structural Biology and Molecular Biophysics

    Direct and indirect salt effects on homotypic phase separation

    Matt MacAinsh, Souvik Dey, Huan-Xiang Zhou
    All-atom molecular dynamics simulations revealed both direct and indirect salt effects and led to an amino-acid composition-based predictor for four classes of salt dependence of IDP phase separation.
    1. Biochemistry and Chemical Biology

    Crystal structure and catalytic mechanism of PL35 family glycosaminoglycan lyases with an ultrabroad substrate spectrum

    Lin Wei, Hai-Yan Cao ... Fuchuan Li
    Not revised
    Reviewed Preprint v1
    • Useful
    • Incomplete

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