@article {2015|1634, title = {Amyloid beta Protein and Alzheimer{\textquoteright}s Disease: When Computer Simulations Complement Experimental Studies}, journal = {Chem. Rev.}, volume = {115}, number = {9}, year = {2015}, month = {may}, pages = {3518{\textendash}3563}, doi = {10.1021/cr500638n}, author = {Nasica-Labouze, Jessica and Phuong Hoang Nguyen and Fabio Sterpone and Berthoumieu, Olivia and Buchete, Nicolae-Viorel and Cote, Sebastien and De Simone, Alfonso and Doig, Andrew J. and Faller, Peter and Garcia, Angel and Laio, Alessandro and Li, Mai Suan and Melchionna, Simone and Mousseau, Normand and Mu, Yuguang and Paravastu, Anant and Pasquali, Samuela and Rosenman, David J. and Strodel, Birgit and Tarus, Bogdan and Viles, John H. and Zhang, Tong and Wang, Chunyu and Philippe Derreumaux} } @article {2012|1922, title = {Distinct Dimerization for Various Alloforms of the Amyloid-Beta Protein: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N)}, journal = {J. Phys. Chem. B}, volume = {116}, number = {13}, year = {2012}, month = {apr}, pages = {4043{\textendash}4055}, doi = {10.1021/jp2126366}, author = {Cote, Sebastien and Laghaei, Rozita and Philippe Derreumaux and Mousseau, Normand} } @article {2012|1921, title = {Structures of A beta 17-42 Trimers in Isolation and with Five Small-Molecule Drugs Using a Hierarchical Computational Procedure}, journal = {J. Phys. Chem. B}, volume = {116}, number = {29, SI}, year = {2012}, month = {jul}, pages = {8412{\textendash}8422}, doi = {10.1021/jp2118778}, author = {Y Chebaro and Jiang, Ping and Zang, Tong and Mu, Yuguang and Phuong Hoang Nguyen and Mousseau, Normand and Philippe Derreumaux} } @conference {2011|1611, title = {Characterization of the Aggregation Pathway for a 20-mer of GNNQQNY using Coarse-Grained and All-Atom Representations}, booktitle = {Biophys. J.}, volume = {100}, number = {3}, year = {2011}, month = {feb}, pages = {Biophys Soc}, author = {Nasica-Labouze, Jessica and Meli, Massimiliano and Philippe Derreumaux and Colombo, Giorgio and Mousseau, Normand} } @article {2011|1890, title = {Distinct Morphologies for Amyloid Beta Protein Monomer: A beta(1-40), A beta(1-42), and A beta(1-40)(D23N)}, journal = {J. Chem. Theory Comput.}, volume = {7}, number = {8}, year = {2011}, month = {aug}, pages = {2584{\textendash}2592}, doi = {10.1021/ct1006967}, author = {Cote, Sebastien and Philippe Derreumaux and Mousseau, Normand} } @article {2011|1962, title = {A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35}, journal = {Plos Comput. Biol.}, volume = {7}, number = {5}, year = {2011}, month = {may}, pages = {e1002051}, doi = {10.1371/journal.pcbi.1002051}, author = {Nasica-Labouze, Jessica and Meli, Massimiliano and Philippe Derreumaux and Colombo, Giorgio and Mousseau, Normand} } @article {2011|1782, title = {Simulation of the Oligomerization Pathway for Different Alloforms of the Amyloid Beta Protein Related to Alzheimer{\textquoteright}s Disease}, journal = {Biophys. J.}, volume = {100}, number = {3, 1}, year = {2011}, note = {55th Annual Meeting of the Biophysical-Society, Baltimore, MD, MAR 05-09, 2011}, month = {feb}, pages = {401}, author = {Cote, Sebastien and Laghaei, Rozita and Philippe Derreumaux and Mousseau, Normand} } @article {2009|1916, title = {Structures and Thermodynamics of Alzheimer{\textquoteright}s Amyloid-beta A beta(16-35) Monomer and Dimer by Replica Exchange Molecular Dynamics Simulations: Implication for Full-Length A beta Fibrillation}, journal = {J. Phys. Chem. B}, volume = {113}, number = {21}, year = {2009}, month = {may}, pages = {7668{\textendash}7675}, doi = {10.1021/jp900425e}, author = {Y Chebaro and Mousseau, Normand and Philippe Derreumaux} } @article {2009|2019, title = {Thermodynamics and dynamics of amyloid peptide oligomerization are sequence dependent}, journal = {Proteins: Struct., Funct., Bioinf.}, volume = {75}, number = {4}, year = {2009}, month = {jun}, pages = {954{\textendash}963}, keywords = {Amino Acid Sequence, Amyloid beta-Protein, beta 2-Microglobulin, Cluster Analysis, Computer Simulation, Models, Molecular, Peptide Fragments, Protein Multimerization, Protein Structure, Secondary, Structure-Activity Relationship, Thermodynamics}, doi = {10.1002/prot.22305}, author = {Lu, Yan and Philippe Derreumaux and Guo, Zhi and Mousseau, Normand and Wei, Guanghong} } @article {2008|1615, title = {The beta-strand-loop-beta-strand conformation is marginally populated in beta(2)-microglobulin (20-41) peptide in solution as revealed by replica exchange molecular dynamics simulations}, journal = {Biophys. J.}, volume = {95}, number = {2}, year = {2008}, month = {jul}, pages = {510{\textendash}517}, doi = {10.1529/biophysj.107.125054}, author = {Liang, Chungwen and Philippe Derreumaux and Mousseau, Normand and Wei, Guanghong} } @article {2008|1884, title = {The complex folding pathways of protein A suggest a multiple-funnelled energy landscape}, journal = {J. Chem. Phys.}, volume = {128}, number = {4}, year = {2008}, month = {jan}, pages = {045101}, doi = {10.1063/1.2812562}, author = {St-Pierre, Jean-Francois and Mousseau, Normand and Philippe Derreumaux} } @article {2008|1883, title = {Energy landscapes of the monomer and dimer of the Alzheimer{\textquoteright}s peptide A beta(1-28)}, journal = {J. Chem. Phys.}, volume = {128}, number = {12}, year = {2008}, month = {mar}, pages = {125108}, doi = {10.1063/1.2890033}, author = {Dong, Xiao and Chen, Wei and Mousseau, Normand and Philippe Derreumaux} } @article {2008|1811, title = {Exploring energy landscapes of protein folding and aggregation}, journal = {Front. Biosci.}, volume = {13}, year = {2008}, month = {may}, pages = {4495{\textendash}4516}, doi = {10.2741/3019}, author = {Mousseau, Normand and Philippe Derreumaux} } @article {2008|1804, title = {Role of the region 23-28 in A beta fibril formation: Insights from simulations of the monomers and dimers of Alzheimer{\textquoteright}s peptides A beta 40 and A beta 42}, journal = {Curr. Alzheimer Res.}, volume = {5}, number = {3}, year = {2008}, month = {jun}, pages = {244{\textendash}250}, doi = {10.2174/156720508784533330}, author = {Melquiond, Adrien and Dong, Xiao and Mousseau, Normand and Philippe Derreumaux} } @article {2008|1812, title = {Self-assembly of amyloid-forming peptides by molecular dynamics simulations}, journal = {Front. Biosci.}, volume = {13}, year = {2008}, month = {may}, pages = {5681{\textendash}5692}, author = {Wei, Guanghong and Song, Wei and Philippe Derreumaux and Mousseau, Normand} } @article {2008|1915, title = {Self-assembly of the beta 2-microglobulin NHVTLSQ peptide using a coarse-grained protein model reveals beta-barrel species}, journal = {J. Phys. Chem. B}, volume = {112}, number = {14}, year = {2008}, month = {apr}, pages = {4410{\textendash}4418}, doi = {10.1021/jp710592v}, author = {Song, Wei and Wei, Guanghong and Mousseau, Normand and Philippe Derreumaux} } @article {2007|1882, title = {Coarse-grained protein molecular dynamics simulations}, journal = {J. Chem. Phys.}, volume = {126}, number = {2}, year = {2007}, month = {jan}, pages = {025101}, doi = {10.1063/1.2408414}, author = {Philippe Derreumaux and Mousseau, Normand} } @article {2007|2013, title = {Computational Simulations of the Early Steps of Protein Aggregation}, journal = {Prion}, volume = {1}, number = {1}, year = {2007}, month = {jan}, pages = {3{\textendash}8}, author = {Wei, Guanghong and Mousseau, Normand and Philippe Derreumaux} } @article {2006|1981, title = {Aggregating the amyloid A beta(11-25) peptide into a four-stranded beta-sheet structure}, journal = {Proteins: Struct., Funct., Bioinf.}, volume = {65}, number = {4}, year = {2006}, month = {dec}, pages = {877{\textendash}888}, doi = {10.1002/prot.21134}, author = {Boucher, Genevive and Mousseau, Normand and Philippe Derreumaux} } @article {2006|1880, title = {The conformations of the amyloid-beta (21-30) fragment can be described by three families in solution}, journal = {J. Chem. Phys.}, volume = {125}, number = {8}, year = {2006}, month = {aug}, pages = {084911}, doi = {10.1063/1.2337628}, author = {Chen, Wei and Mousseau, Normand and Philippe Derreumaux} } @conference {2006, title = {PHYS 4-Applications of activated methods to proteins and materials science}, booktitle = {Abstracts of Papers of the American Chemical Society}, volume = {232}, year = {2006}, author = {Mousseau, Normand and Barkema, Gerard T. and Chubynsky, Mykyta V. and Philippe Derreumaux and El-Mellouhi, Fedwa and Vocks, Henk} } @article {2006|1982, title = {Structures of soluble amyloid oligomers from computer simulations}, journal = {Proteins: Struct., Funct., Bioinf.}, volume = {65}, number = {1}, year = {2006}, month = {oct}, pages = {180{\textendash}191}, doi = {10.1002/prot.21100}, author = {Melquiond, Adrien and Mousseau, Normand and Philippe Derreumaux} }