Proteins: Structure, Function, and Bioinformatics: Vol 90, No 1

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Proteins: Structure, Function, and Bioinformatics: Volume 90, Issue 1

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ISSUE INFORMATION - COVER IMAGE

Cover Image, Volume 90, Issue 1

TABLE OF CONTENT

Issue Information - Table of Content

RESEARCH ARTICLES

Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase

DynaBiS: A hierarchical sampling algorithm to identify flexible binding sites for large ligands and peptides

Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands

Predicting mutant outcome by combining deep mutational scanning and machine learning

Improving protein tertiary structure prediction by deep learning and distance prediction in CASP14

Dynamics in an unusual acyl carrier protein from a ladderane lipid-synthesizing organism

Benchmarking of structure refinement methods for protein complex models

The denatured state of HIV-1 protease under native conditions

Introduction of a new scheme for classifying β-turns in protein structures

Histidine protonation states are key in the LigI catalytic reaction mechanism

Structure–sequence features based prediction of phosphosites of serine/threonine protein kinases of Mycobacterium tuberculosis

Molecular dynamics simulations reveal the disruption mechanism of a 2,4-thiazolidinedione derivative C30 against tau hexapeptide (PHF6) oligomer

Structural elements determining the transglycosylating activity of glycoside hydrolase family 57 glycogen branching enzymes

TMEM106B in humans and Vac7 and Tag1 in yeast are predicted to be lipid transfer proteins

A distinct ssDNA/RNA binding interface in the Nsp9 protein from SARS-CoV-2

Allosteric regulation within the highly interconnected structural scaffold of AraC/XylS homologs tolerates a wide range of amino acid changes

New biochemical insights into the dynamics of water molecules at the GMP or IMP binding site of human GMPR enzyme: A molecular dynamics study

Dimerization underlies the aggregation propensity of intrinsically disordered coiled-coil domain-containing 124

Identification of key stabilizing interactions of amyloid-β oligomers based on fragment molecular orbital calculations on macrocyclic β-hairpin peptides

A study of a hierarchical structure of proteins and ligand binding sites of receptors using the triangular spatial relationship-based structure comparison method and development of a size-filtering feature designed for comparing different sizes of protein structures

Evolutionary and structural constraints influencing apolipoprotein A-I amyloid behavior

Surface salt bridges contribute to the extreme thermal stability of an FN3-like domain from a thermophilic bacterium

Computational modeling reveals key molecular properties and dynamic behavior of disruptor of telomeric silencing 1-like (DOT1L) and partnering complexes involved in leukemogenesis

Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly

STRUCTURE NOTE

Structural evidence that MOAP1 and PEG10 are derived from retrovirus/retrotransposon Gag proteins

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