Philippe Derreumaux

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 48

Top Topics

Amyotrophic Lateral Sclerosis

Molecular Dynamics

Cognitive Decline

Top Venues

The journal of physical chemistry. B

ACS chemical neuroscience

The journal of physical chemistry letters

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone
Dynamics and Structures of Amyloid Aggregates under Fluid Flows. The journal of physical chemistry letters 15 (7) (2024)
Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone
Dynamics and Structures of Amyloid Aggregates under Fluid Flows. The journal of physical chemistry letters 15 (7) (2024)
Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone
Dynamics and Structures of Amyloid Aggregates under Fluid Flows. The journal of physical chemistry letters (2024)
Phuong Hoang Nguyen, Fabio Sterpone, Philippe Derreumaux
Metastable alpha-rich and beta-rich conformations of small Aβ42 peptide oligomers. Proteins (2023)
Phuong Hoang Nguyen, Philippe Derreumaux
An S-Shaped Aβ42 Cross-β Hexamer Embedded into a Lipid Bilayer Reveals Membrane Disruption and Permeability. ACS chemical neuroscience 14 (5) (2023)
Phuong Hoang Nguyen, Philippe Derreumaux
An S-Shaped Aβ42 Cross-β Hexamer Embedded into a Lipid Bilayer Reveals Membrane Disruption and Permeability. ACS chemical neuroscience 14 (5) (2023)
Thi Ly Mai, Hoa Thi Nguyen, Philippe Derreumaux, Phuong H Nguyen
Structure and elasticity of healthy and Alzheimer's disease cell membranes revealed by molecular dynamics simulations. Proteins (2023)
Stepan Timr, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone
Optimized OPEP Force Field for Simulation of Crowded Protein Solutions. The journal of physical chemistry. B (2023)
Phuong Hoang Nguyen, Philippe Derreumaux
An S-Shaped Aβ42 Cross-β Hexamer Embedded into a Lipid Bilayer Reveals Membrane Disruption and Permeability. ACS chemical neuroscience 14 (5) (2023)
Phuong Hoang Nguyen, Philippe Derreumaux
An S-Shaped Aβ42 Cross-β Hexamer Embedded into a Lipid Bilayer Reveals Membrane Disruption and Permeability. ACS chemical neuroscience (2023)
Thi Ly Mai, Philippe Derreumaux, Phuong Hoang Nguyen
Structure and Elasticity of Mitochondrial Membranes: A Molecular Dynamics Simulation Study. The journal of physical chemistry. B (2023)
Phuong Hoang Nguyen, Philippe Derreumaux
Multistep molecular mechanisms of Aβ16-22 fibril formation revealed by lattice Monte Carlo simulations. The Journal of chemical physics 158 (23) (2023)
Hubert Santuz, Phuong Hoang Nguyen, Fabio Sterpone, Philippe Derreumaux
Small Oligomers of Aβ42 Protein in the Bulk Solution with AlphaFold2. ACS chemical neuroscience 13 (6) (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Insights into the Mixture of Aβ24 and Aβ42 Peptides from Atomistic Simulations. The journal of physical chemistry. B 126 (50) (2022)
Phuong Hoang Nguyen, Fabio Sterpone, Philippe Derreumaux
Self-Assembly of Amyloid-Beta (Aβ) Peptides from Solution to Near In Vivo Conditions. The journal of physical chemistry. B (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Molecular Dynamics Simulations of the Tau R3-R4 Domain Monomer in the Bulk Solution and at the Surface of a Lipid Bilayer Model. The journal of physical chemistry. B 126 (18) (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Molecular Dynamics Simulations of the Tau Amyloid Fibril Core Dimer at the Surface of a Lipid Bilayer Model: I. In Alzheimer's Disease. The journal of physical chemistry. B 126 (26) (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Insights into the Mixture of Aβ24 and Aβ42 Peptides from Atomistic Simulations. The journal of physical chemistry. B (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Insights into the Mixture of Aβ24 and Aβ42 Peptides from Atomistic Simulations. The journal of physical chemistry. B 126 (50) (2022)
Yan Lu, Freddie R Salsbury, Philippe Derreumaux
Impact of A2T and D23N mutations on C99 homodimer conformations. The Journal of chemical physics 157 (8) (2022)
Phuong Hoang Nguyen, Pierre Tuffery, Philippe Derreumaux
Dynamics of Amyloid Formation from Simplified Representation to Atomistic Simulations. Methods in molecular biology (Clifton, N.J.) 2405 (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Insights into the Mixture of Aβ24 and Aβ42 Peptides from Atomistic Simulations. The journal of physical chemistry. B 126 (50) (2022)
Nguyen Hoang Linh, Viet Hoang Man, Mai Suan Li, Junmei Wang, Philippe Derreumaux, Thi Ly Mai, Phuong Hoang Nguyen
Molecular dynamics simulation of cancer cell membrane perforated by shockwave induced bubble collapse. The Journal of chemical physics 157 (22) (2022)
Phuong Hoang Nguyen, Philippe Derreumaux
Computer Simulations Aimed at Exploring Protein Aggregation and Dissociation. Methods in molecular biology (Clifton, N.J.) 2340 (2022)
Son Tung Ngo, Phuong Hoang Nguyen, Philippe Derreumaux
Impact of the Rat R5G, Y10F, and H13R Mutations on Tetrameric Aβ42 β-Barrel in a Lipid Bilayer Membrane Model. The journal of physical chemistry. B 125 (12) (2021)
Son Tung Ngo, Phuong Hoang Nguyen, Philippe Derreumaux
Cholesterol Molecules Alter the Energy Landscape of Small Aβ1-42 Oligomers. The journal of physical chemistry. B 125 (9) (2021)
Phuong Hoang Nguyen, Ayyalusamy Ramamoorthy, Bikash R Sahoo, Jie Zheng, Peter Faller, John E Straub, Laura Domínguez, Joan-Emma Shea, Nikolay V Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo, Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James J McCarty, Mai Suan Li, Carol K Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxing Chen, Brianna Hnath, Birgit Strodel, Rakez Kayed, Sylvain Lesné, Guanghong Wei, Fabio Sterpone, Andrew J Doig, Philippe Derreumaux
Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis. Chemical reviews 121 (4) (2021)
Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Junmei Wang, Phuong Hoang Nguyen
Molecular Mechanism of Ultrasound-Induced Structural Defects in Liposomes: A Nonequilibrium Molecular Dynamics Simulation Study. Langmuir : the ACS journal of surfaces and colloids 37 (26) (2021)
Huynh Minh Hung, Minh Tho Nguyen, Phuong-Thao Tran, Vi Khanh Truong, James Chapman, Le Huu Quynh Anh, Philippe Derreumaux, Van V Vu, Son Tung Ngo
Impact of the Astaxanthin, Betanin, and EGCG Compounds on Small Oligomers of Amyloid Aβ40 Peptide. Journal of chemical information and modeling 60 (3) (2020)
Son Tung Ngo, Phuong Hoang Nguyen, Philippe Derreumaux
Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics. The journal of physical chemistry. B 124 (7) (2020)
Takayasu Kawasaki, Viet Hoang Man, Yasunobu Sugimoto, Nobuyuki Sugiyama, Hiroko Yamamoto, Koichi Tsukiyama, Junmei Wang, Philippe Derreumaux, Phuong Hoang Nguyen
Infrared Laser-Induced Amyloid Fibril Dissociation: A Joint Experimental/Theoretical Study on the GNNQQNY Peptide. The journal of physical chemistry. B 124 (29) (2020)
Philippe Derreumaux, Viet Hoang Man, Junmei Wang, Phuong Hoang Nguyen
Tau R3-R4 Domain Dimer of the Wild Type and Phosphorylated Ser356 Sequences. I. In Solution by Atomistic Simulations. The journal of physical chemistry. B 124 (15) (2020)
Son Tung Ngo, Phuong Hoang Nguyen, Philippe Derreumaux
Stability of Aβ11-40 Trimers with Parallel and Antiparallel β-Sheet Organizations in a Membrane-Mimicking Environment by Replica Exchange Molecular Dynamics Simulation. The journal of physical chemistry. B 124 (4) (2020)
Phuong Hoang Nguyen, Josep M Campanera, Son Tung Ngo, Antoine Loquet, Philippe Derreumaux
Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane. The journal of physical chemistry. B 123 (17) (2019)
Phuong Hoang Nguyen, Josep M Campanera, Son Tung Ngo, Antoine Loquet, Philippe Derreumaux
Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution. The journal of physical chemistry. B 123 (31) (2019)
Mara Chiricotto, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone
Multiscale Aggregation of the Amyloid Aβ16-22 Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils. The journal of physical chemistry letters 10 (7) (2019)
Fernando Luís Barroso daSilva, Fabio Sterpone, Philippe Derreumaux
OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field. Journal of chemical theory and computation 15 (6) (2019)
Viet Hoang Man, Xibing He, Philippe Derreumaux, Beihong Ji, Xiang-Qun Xie, Phuong H Nguyen, Junmei Wang
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer. Journal of chemical theory and computation 15 (2) (2019)
Son Tung Ngo, Philippe Derreumaux, Van V Vu
Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca2+ Ions. The journal of physical chemistry. B 123 (12) (2019)
Son Tung Ngo, Binh Khanh Mai, Philippe Derreumaux, Van V Vu
Adequate prediction for inhibitor affinity of Aβ 40 protofibril using the linear interaction energy method. RSC advances 9 (22) (2019)
Yan Lu, Xiao-Feng Shi, Phuong Hoang Nguyen, Fabio Sterpone, Freddie R Salsbury, Philippe Derreumaux
Amyloid-β(29-42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids. The journal of physical chemistry. B 123 (12) (2019)
Viet Hoang Man, Phan Minh Truong, Mai Suan Li, Junmei Wang, Nguyen-Thi Van-Oanh, Philippe Derreumaux, Phuong Hoang Nguyen
Molecular Mechanism of the Cell Membrane Pore Formation Induced by Bubble Stable Cavitation. The journal of physical chemistry. B 123 (1) (2018)
Olivier Languin-Cattoën, Simone Melchionna, Philippe Derreumaux, Guillaume Stirnemann, Fabio Sterpone
Three Weaknesses for Three Perturbations: Comparing Protein Unfolding Under Shear, Force, and Thermal Stresses. The journal of physical chemistry. B 122 (50) (2018)
Fabio Sterpone, Philippe Derreumaux, Simone Melchionna
Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study. The journal of physical chemistry. B 122 (5) (2018)
Andrew J Doig, Maria P Del Castillo-Frias, Olivia Berthoumieu, Bogdan Tarus, Jessica Nasica-Labouze, Fabio Sterpone, Phuong H Nguyen, Nigel M Hooper, Peter Faller, Philippe Derreumaux
Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? ACS chemical neuroscience 8 (7) (2017)
Viet Hoang Man, Phuong H Nguyen, Philippe Derreumaux
High-Resolution Structures of the Amyloid-β 1-42 Dimers from the Comparison of Four Atomistic Force Fields. The journal of physical chemistry. B 121 (24) (2017)
Viet Hoang Man, Phuong H Nguyen, Philippe Derreumaux
Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers. The journal of physical chemistry. B 121 (11) (2017)
Cyrille Garnier, Fatma Briki, Brigitte Nedelec, Patrick Le Pogamp, Ahmet Dogan, Nathalie Rioux-Leclercq, Renan Goude, Caroline Beugnet, Laurent Martin, Marc Delpech, Frank Bridoux, Gilles Grateau, Jean Doucet, Philippe Derreumaux, Sophie Valleix
VLITL is a major cross-β-sheet signal for fibrinogen Aα-chain frameshift variants. Blood 130 (25) (2017)