Amyloid-β peptide structure in aqueous solution varies with fragment size

Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides

(2011) K. Aurelia Ball et al.   BIOCHEMISTRY

Recognition of Voltage-Dependent Sodium Channels by Calmodulin

(2011) Madeline A. Shea et al.   BIOPHYSICAL JOURNAL

Molecular dynamic simulation of wild type and mutants of the polymorphic amyloid NNQNTF segments of elk prion: Structural stability and thermodynamic of association

(2011) Workalemahu M. Berhanu et al.   BIOPOLYMERS

Configurational entropy of protein: A combined approach based on molecular simulation and integral-equation theory of liquids

(2011) Song-Ho Chong et al.   CHEMICAL PHYSICS LETTERS

Distinct Morphologies for Amyloid Beta Protein Monomer: Aβ1–40, Aβ1–42, and Aβ1–40(D23N)

(2011) Sébastien Côté et al.   Journal of Chemical Theory and Computation

Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering Simulations

(2011) Meher K. Prakash et al.   Journal of Chemical Theory and Computation

Characterizing the Structural Behavior of Selected Aβ-42 Monomers with Different Solubilities

(2011) Camilo Velez-Vega et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Stress Analysis at the Molecular Level: A Forced Cucurbituril-Guest Dissociation Pathway

(2010) Michael K. Gilson   Journal of Chemical Theory and Computation

Characterizing amyloid-beta protein misfolding from molecular dynamics simulations with explicit water

(2010) Chewook Lee et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Atomic-Level Characterization of the Ensemble of the Aβ(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral Algorithms

(2010) Nikolaos G. Sgourakis et al.   JOURNAL OF MOLECULAR BIOLOGY

Direct Observation of Nucleation and Growth in Amyloid Self-Assembly

(2010) Yan Liang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

MMPBSA Decomposition of the Binding Energy throughout a Molecular Dynamics Simulation of Amyloid-Beta (Aß10−35) Aggregation

(2010) Josep M. Campanera et al.   MOLECULES

Absolute binding free energy calculations: On the accuracy of computational scoring of protein-ligand interactions

(2010) Nidhi Singh et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Structure of Aβ42 C-Terminal Fragments Probed by a Combined Experimental and Theoretical Study

(2009) Chun Wu et al.   JOURNAL OF MOLECULAR BIOLOGY

Structures and Thermodynamics of Alzheimer’s Amyloid-β Aβ(16−35) Monomer and Dimer by Replica Exchange Molecular Dynamics Simulations: Implication for Full-Length Aβ Fibrillation

(2009) Yassmine Chebaro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2009) Nicholas F. Dupuis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Energy landscapes of the monomer and dimer of the Alzheimer’s peptide Aβ(1–28)

(2008) Xiao Dong et al.   JOURNAL OF CHEMICAL PHYSICS

Amyloid β-Protein Monomer Folding: Free-Energy Surfaces Reveal Alloform-Specific Differences

(2008) Mingfeng Yang et al.   JOURNAL OF MOLECULAR BIOLOGY

Structures and Free-Energy Landscapes of the Wild Type and Mutants of the Aβ21–30 Peptide Are Determined by an Interplay between Intrapeptide Electrostatic and Hydrophobic Interactions

(2008) Bogdan Tarus et al.   JOURNAL OF MOLECULAR BIOLOGY

The effect of solvents on the conformations of Amyloid β-peptide (1–42) studied by molecular dynamics simulation

(2008) Cao Yang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Methanol Distribution and Electroosmotic Drag in Hydrated Poly(perfluorosulfonic) Acid Membrane

(2008) Xiaobo Ji et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A temperature predictor for parallel tempering simulations

(2008) Alexandra Patriksson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the nucleation of amyloid β-protein monomer folding

(2005) Noel D. Lazo et al.   PROTEIN SCIENCE