Proteins: Structure, Function, and Bioinformatics: Vol 82, No 12

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Proteins: Structure, Function, and Bioinformatics: Volume 82, Issue 12

Articles

Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations

Discerning intersecting fusion-activation pathways in the Nipah virus using machine learning

Detecting local residue environment similarity for recognizing near-native structure models

Binding mode analysis of a major T3SS translocator protein PopB with its chaperone PcrH from Pseudomonas aeruginosa

Dual effects of familial Alzheimer's disease mutations (D7H, D7N, and H6R) on amyloid β peptide: Correlation dynamics and zinc binding

Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling

Protein-spanning water networks and implications for prediction of protein–protein interactions mediated through hydrophobic effects

Molecular dynamic studies on the impact of mutations on the structure, stability, and N-terminal orientation of annexin A1: Implications for membrane aggregation

Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site

Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine

Polyanion binding accelerates the formation of stable and low-toxic aggregates of ALS-linked SOD1 mutant A4V

Alanine and proline content modulate global sensitivity to discrete perturbations in disordered proteins

Computational and experimental investigation of constitutive behavior in AraC

Physics-based enzyme design: Predicting binding affinity and catalytic activity

Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations

Sequence and conformational preferences at termini of α-helices in membrane proteins: Role of the helix environment

The crystal structure of archaeal serine hydroxymethyltransferase reveals idiosyncratic features likely required to withstand high temperatures

Application of information theory to a three-body coarse-grained representation of proteins in the PDB: Insights into the structural and evolutionary roles of residues in protein structure

Carbohydrate binding module recognition of xyloglucan defined by polar contacts with branching xyloses and CH-Π interactions

Crystal structure of human Ankyrin G death domain

Structure Notes

Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis

The solution structure of the forkhead box-O DNA binding domain of Brugia malayi DAF-16a

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Proteins: Structure, Function, and Bioinformatics

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Proteins: Structure, Function, and Bioinformatics: Volume 82, Issue 12

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Articles

Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations

Discerning intersecting fusion-activation pathways in the Nipah virus using machine learning

Detecting local residue environment similarity for recognizing near-native structure models

Binding mode analysis of a major T3SS translocator protein PopB with its chaperone PcrH from Pseudomonas aeruginosa

Dual effects of familial Alzheimer's disease mutations (D7H, D7N, and H6R) on amyloid β peptide: Correlation dynamics and zinc binding

Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling

Protein-spanning water networks and implications for prediction of protein–protein interactions mediated through hydrophobic effects

Molecular dynamic studies on the impact of mutations on the structure, stability, and N-terminal orientation of annexin A1: Implications for membrane aggregation

Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site

Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine

Polyanion binding accelerates the formation of stable and low-toxic aggregates of ALS-linked SOD1 mutant A4V

Alanine and proline content modulate global sensitivity to discrete perturbations in disordered proteins

Computational and experimental investigation of constitutive behavior in AraC

Physics-based enzyme design: Predicting binding affinity and catalytic activity

Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations

Sequence and conformational preferences at termini of α-helices in membrane proteins: Role of the helix environment

The crystal structure of archaeal serine hydroxymethyltransferase reveals idiosyncratic features likely required to withstand high temperatures

Application of information theory to a three-body coarse-grained representation of proteins in the PDB: Insights into the structural and evolutionary roles of residues in protein structure

Carbohydrate binding module recognition of xyloglucan defined by polar contacts with branching xyloses and CH-Π interactions

Crystal structure of human Ankyrin G death domain

Structure Notes

Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis

The solution structure of the forkhead box-O DNA binding domain of Brugia malayi DAF-16a

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