Proteins: Structure, Function, and Bioinformatics: Vol 79, No 6

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Proteins: Structure, Function, and Bioinformatics: Volume 79, Issue 6

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Short Communications

Progress in the structural prediction of G protein-coupled receptors: D3 receptor in complex with eticlopride

Research Articles

The ensemble folding kinetics of the FBP28 WW domain revealed by an all-atom Monte Carlo simulation in a knowledge-based potential

A comparison of the dynamics of pantothenate synthetase from M. tuberculosis and E. coli: Computational studies

Crystal structure of a phenol-coupling P450 monooxygenase involved in teicoplanin biosynthesis

Cold unfolding of β-hairpins: A molecular-level rationalization

Thermal and acid denaturation of bovine lens α-crystallin

Protein structure prediction using a docking-based hierarchical folding scheme

Molecular dynamics simulations reveal structural coordination of Ffh-FtsY heterodimer toward GTPase activation

Mechanical stability of multidomain proteins and novel mechanical clamps

Possible ligand release pathway of dipeptidyl peptidase IV investigated by molecular dynamics simulations

Understanding the binding mode and function of BMS-488043 against HIV-1 viral entry

Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate

Dynamic flaps in HIV-1 protease adopt unique ordering at different stages in the catalytic cycle

Integrating the intrinsic conformational preferences of noncoded α-amino acids modified at the peptide bond into the noncoded amino acids database

Swapping the domains of exoribonucleases RNase II and RNase R: Conferring upon RNase II the ability to degrade ds RNA

Revisiting gap locations in amino acid sequence alignments and a proposal for a method to improve them by introducing solvent accessibility†

Predicted structures of agonist and antagonist bound complexes of adenosine A3 receptor

Structure-guided forcefield optimization

Conformational dynamics of recoverin's Ca2+-myristoyl switch probed by 15N NMR relaxation dispersion and chemical shift analysis

Multibody coarse-grained potentials for native structure recognition and quality assessment of protein models

Correction(s) for this article

Multibody coarse-grained potentials for native structure recognition and quality assessment of protein models

A multiple-template approach to protein threading

Virtual screening using molecular simulations

Structure-based identification of catalytic residues†

X-ray, ESR, and quantum mechanics studies unravel a spin well in the cofactor-less urate oxidase

Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter

Probing the different chaperone activities of the bacterial HSP70-HSP40 system using a thermolabile luciferase substrate

Structure Notes

Crystal structure of native Anopheles gambiae serpin-2, a negative regulator of melanization in mosquitoes

Structural insights into piRNA recognition by the human PIWI-like 1 PAZ domain

Crystal structure of the unliganded retinoblastoma protein pocket domain

The structure of a D-lyxose isomerase from the σB regulon of Bacillus subtilis

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Progress in the structural prediction of G protein-coupled receptors: D₃ receptor in complex with eticlopride

Revisiting gap locations in amino acid sequence alignments and a proposal for a method to improve them by introducing solvent accessibility ^†

Predicted structures of agonist and antagonist bound complexes of adenosine A₃ receptor

Conformational dynamics of recoverin's Ca²⁺-myristoyl switch probed by ¹⁵N NMR relaxation dispersion and chemical shift analysis

Structure-based identification of catalytic residues ^†

The structure of a D-lyxose isomerase from the σ^B regulon of Bacillus subtilis