A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

Yong Duan, Chun Wu, Shibasish Chowdhury, +10

Journal of Computational Chemistry

Protein ChemistryEngineeringMolecular Mechanics ModelsProtein FoldingMolecular Biology +11

Galanin inhibits acetylcholine release in the ventral hippocampus of the rat: histochemical, autoradiographic, in vivo, and in vitro studies.

Gilberto Fisone, Chun Wu, S. Consolo, +5

Proceedings of the National Academy of Sciences

Synaptic TransmissionNeurotransmitterNeurotransmissionExperimental PharmacologyHigh Density +18

Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations

Hongxing Lei, Chun Wu, Haiguang Liu, +1

Proceedings of the National Academy of Sciences

Human Islet Amyloid Polypeptide Monomers Form Ordered β-hairpins: A Possible Direct Amyloidogenic Precursor

Nicholas Dupuis, Chun Wu, Joan–Emma Shea, +1

Journal of the American Chemical Society

Protein ChemistryProtein AssemblyBiochemistryProtein FoldingHuman Iapp Monomer +11

The Amyloid Formation Mechanism in Human IAPP: Dimers Have β-Strand Monomer−Monomer Interfaces

Nicholas Dupuis, Chun Wu, Joan–Emma Shea, +1

Journal of the American Chemical Society

Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides

Zhixiang Wang, Wei Zhang, Chun Wu, +3

Journal of Computational Chemistry

Dual Binding Modes of Congo Red to Amyloid Protofibril Surface Observed in Molecular Dynamics Simulations

Chun Wu, Zhixiang Wang, Hongxing Lei, +2

Journal of the American Chemical Society

Dual Binding ModesProtein AssemblyMolecular BiologyMolecular DynamicsProtein Folding +15

Binding of Congo Red to Amyloid Protofibrils of the Alzheimer Aβ9–40 Peptide Probed by Molecular Dynamics Simulations

Chun Wu, Justin Scott, Joan–Emma Shea

Biophysical Journal

Amyloid ProtofibrilsAlzheimer's DiseaseProtein AssemblyBiochemistryProtein Folding +9

The Binding of Thioflavin T and Its Neutral Analog BTA-1 to Protofibrils of the Alzheimer’s Disease Aβ16–22 Peptide Probed by Molecular Dynamics Simulations

Chun Wu, Zhixiang Wang, Hongxing Lei, +3

Journal of Molecular Biology

Alzheimer's DiseaseBiochemistryNeutral Analog Bta-1Protein FoldingNatural Sciences +10

Binding Modes of Thioflavin-T to the Single-Layer β-Sheet of the Peptide Self-Assembly Mimics

Chun Wu, Matthew Biancalana, Shohei Koide, +1

Journal of Molecular Biology

Peptide Self-assembly MimicsProtein AssemblyProtein FoldingSelf-assemblyNatural Sciences +10