List of works - Philippe Derreumaux

Aggregation of disease-related peptides

scientific article published on 06 January 2020

Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies

scientific article

Amyloid-β(29–42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids

scientific article published on 14 March 2019

C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape Aβ11-42 Tetramer in Solution: Intensive MD Study

scientific article published on 25 June 2019

Combined experimental and simulation studies suggest a revised mode of action of the anti-Alzheimer disease drug NQ-Trp

scientific article

Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers

scientific article published on 28 February 2017

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer

scientific article published on 28 January 2019

Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin

scientific article published on 2 June 2016

High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields

scientific article published on 24 May 2017

Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics

scientific article published on 12 February 2020

Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide

scientific article published on 10 March 2020

Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study.

scientific article published on 12 January 2018

Molecular Mechanism of the Cell Membrane Pore Formation Induced by Bubble Stable Cavitation

scientific article published on 24 December 2018

Molecular structure of the NQTrp inhibitor with the Alzheimer Aβ1-28 monomer.

scientific article

Multiscale Aggregation of the Amyloid Aβ16-22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils

scientific article published on 22 March 2019

Nonequilibrium atomistic molecular dynamics simulation of tubular nanomotor propelled by bubble propulsion

scientific article published on 01 July 2019

OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field

scientific article published on 15 May 2019

Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca2+ Ions

scientific article published on 19 March 2019

Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation

scientific article published on 22 January 2020

Tau R3-R4 Domain Dimer of the Wild Type and Phosphorylated Ser356 Sequences. I. In Solution by Atomistic Simulations

scientific article published on 07 April 2020

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane

scientific article published on 23 April 2019

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution

scientific article published on 24 July 2019

Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses

scientific article published on 07 December 2018

VLITL is a major cross-β-sheet signal for fibrinogen Aα-chain frameshift variants

scientific article published on 31 October 2017

Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease?

scientific article published on 6 June 2017

List of works by Philippe Derreumaux

Aggregation of disease-related peptides

Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies

Amyloid-β(29–42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids

C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape Aβ11-42 Tetramer in Solution: Intensive MD Study

Combined experimental and simulation studies suggest a revised mode of action of the anti-Alzheimer disease drug NQ-Trp

Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer

Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin

High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields

Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics

Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide

Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study.

Molecular Mechanism of the Cell Membrane Pore Formation Induced by Bubble Stable Cavitation

Molecular structure of the NQTrp inhibitor with the Alzheimer Aβ1-28 monomer.

Multiscale Aggregation of the Amyloid Aβ16-22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils

Nonequilibrium atomistic molecular dynamics simulation of tubular nanomotor propelled by bubble propulsion

OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field

Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca2+ Ions

Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation

Tau R3-R4 Domain Dimer of the Wild Type and Phosphorylated Ser356 Sequences. I. In Solution by Atomistic Simulations

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane

Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution

Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses

VLITL is a major cross-β-sheet signal for fibrinogen Aα-chain frameshift variants

Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease?