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Nawrocki W.J, Tourasse N.J, Taly A, Rappaport F., Wollman F.A.  2015.  The plastid terminal oxidase: its elusive function points to multiple contributions to plastid physiology. Annu. Rev. Plant Biol.. 66:49–74.
Nayeem SM, Oteri F, Baaden M, Deep S.  2017.  Residues of Alpha Helix H3 Determine Distinctive Features of Transforming Growth Factor β3.. J Phys Chem B. 121(22):5483-5498.
Nazarova N.I, Mazur AK, Elyakova L.A.  1986.  Active sites of the endo-beta-1,3-glucanases from Spisula sacchalinensis and Chlyamys albidys. Bioorg. Chem.. 12:1478–1483.
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P.  2008.  Microseconds dynamics simulations of the outer-membrane protease T. Biophys. J.. 94:71–78.
Ngo STung, Derreumaux P, Vu VV.  2019.  Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca Ions.. J Phys Chem B. 123(12):2645-2653.
Ngo STung, Nguyen PHoang, Derreumaux P.  2020.  Impact of A2T and D23N Mutations on Tetrameric Aβ42 Barrel within a Dipalmitoylphosphatidylcholine Lipid Bilayer Membrane by Replica Exchange Molecular Dynamics.. J Phys Chem B. 124(7):1175-1182.
Ngo STung, Nguyen PHoang, Derreumaux P.  2020.  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.
Nguyen PHoang, Li MSuan, Stock G, Straub JE, Thirumalai D..  2007.  Monomer adds to preformed structured oligomers of A beta-peptides by a two-stage dock-lock mechanism. Proc. Natl. Acad. Sci. U.s.a.. 104:111–116.
Nguyen PHoang, Li MSuan, Derreumaux P.  2014.  Amyloid oligomer structure characterization from simulations: A general method. J. Chem. Phys.. 140:094105.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. I. In a Bilayer Mimicking a Neuronal Membrane.. J Phys Chem B. 123(17):3643-3648.
Nguyen HLinh, Thu TThi Minh, Truong PMinh, Lan PDang, Man VHoang, Nguyen PHoang, Tu LAnh, Chen Y-C, Li MSuan.  2016.  Aβ41 Aggregates More Like Aβ40 than Like Aβ42: In Silico and in Vitro Study. The Journal of Physical Chemistry B. 120:7371–7379.
Nguyen PHoang, Mu YG, Stock G.  2005.  Structure and energy landscape of a photoswitchable peptide: A replica exchange molecular dynamics study. Proteins: Struct., Funct., Bioinf.. 60:485–494.
Nguyen PHoang.  2010.  Replica exchange simulation method using temperature and solvent viscosity. J. Chem. Phys.. 132
Nguyen PHoang, Derreumaux P.  2013.  Conformational Ensemble and Polymorphism of the All-Atom Alzheimer's A beta(37-42) Amyloid Peptide Oligomers. J. Phys. Chem. B. 117:5831–5840.
Nguyen PHoang, Gorbunov RD, Stock G.  2006.  Photoinduced conformational dynamics of a photoswitchable peptide: A nonequilibrium molecular dynamics simulation study. Biophys. J.. 91:1224–1234.
Nguyen PHoang, Okamoto Y, Derreumaux P.  2013.  Communication: Simulated tempering with fast on-the-fly weight determination. J. Chem. Phys.. 138:061102.
Nguyen PHoang, Campanera JM, Ngo STung, Loquet A, Derreumaux P.  2019.  Tetrameric Aβ40 and Aβ42 β-Barrel Structures by Extensive Atomistic Simulations. II. In Aqueous Solution.. J Phys Chem B. 123(31):6750-6756.
Nguyen PHoang, Stock G.  2006.  Nonequilibrium molecular dynamics simulation of a photoswitchable peptide. Chem. Phys.. 323:36–44.
Nguyen PHoang, Stock G, Mittag E, Hu CK, Li MS.  2005.  Free energy landscape and folding mechanism of a beta-hairpin in explicit water: A replica exchange molecular dynamics study. Proteins: Struct., Funct., Bioinf.. 61:795–808.
Nguyen PHoang, Derreumaux P.  2012.  Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature. Phys. Chem. Chem. Phys.. 14:877–886.
Nguyen PHoang, Sterpone F, Pouplana R, Derreumaux P, Campanera JM.  2016.  Dimerization Mechanism of Alzheimer A beta(40) Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation. J. Phys. Chem. B. 120:12111–12126.
Nguyen PHoang, Mittag E, Torda AE, Stock G.  2006.  Improved Wang-Landau sampling through the use of smoothed potential-energy surfaces. J. Chem. Phys.. 124
Nguyen PHoang.  2007.  Conformational states and folding pathways of peptides revealed by principal-independent component analyses. Proteins: Struct., Funct., Bioinf.. 67:579–592.
Nguyen PHoang, Del Castillo-Frias MP, Berthoumieux O, Faller P, Doig AJ, Derreumaux P.  2018.  Amyloid-β/drug interactions from computer simulations and cell-based assays. Journal of Alzheimer's Disease. 64:S659–S672.
Nguyen PHoang, Hamm P., Stock G..  2009.  Nonequilibrium molecular dynamics simulation of photoinduced energy flow in peptides: theory meets experiment.