Publications

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Derreumaux P, WILSON KJ, VERGOTEN G, PETICOLAS WL.  1989.  CONFORMATIONAL STUDIES OF NEUROACTIVE LIGANDS .1. FORCE-FIELD AND VIBRATIONAL-SPECTRA OF CRYSTALLINE ACETYLCHOLINE. J. Phys. Chem.. 93:1338–1350.
Derreumaux P.  2002.  Insight into protein topology from Monte Carlo simulations. J. Chem. Phys.. 117:3499–3503.
Derreumaux P, Wei GH, Santini S, Mousseau NN.  2004.  Early steps of amyloid-petide oligomerisation explored by simulations. Neurobiol. Aging. 25:S143.
Derreumaux P, LAGANT P, VERGOTEN G.  1993.  COMPARISON OF THE IR AND RAMAN VIBRATIONAL FREQUENCIES AND INTENSITIES OF ALKANES USING THE AMBER AND SPASIBA FORCE-FIELDS - APPLICATION TO ETHANE, AND GAUCHE-N-BUTANE AND TRANS-N-BUTANE. J. Mol. Struct.. 295:223–232.
Derreumaux P.  1997.  Folding a 20 amino acid alpha beta peptide with the diffusion process-controlled Monte Carlo method. J. Chem. Phys.. 107:1941–1947.
Derreumaux P, ZHANG GH, SCHLICK T, BROOKS B.  1994.  A TRUNCATED NEWTON MINIMIZER ADAPTED FOR CHARMM AND BIOMOLECULAR APPLICATIONS. J. Comput. Chem.. 15:532–552.
Derreumaux P, Dauchez M, VERGOTEN G.  1993.  THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF A SERIES OF ALKANES USING THE SPASIBA FORCE-FIELD. J. Mol. Struct.. 295:203–221.
Derreumaux P, VERGOTEN G.  1995.  A NEW SPECTROSCOPIC MOLECULAR MECHANICS FORCE-FIELD - PARAMETERS FOR PROTEINS. J. Chem. Phys.. 102:8586–8605.
Derreumaux P.  2009.  Exploring amyloid aggregates with the OPEP coarse-grained force field. Abstracts of Papers of the American Chemical Society. 238
Derreumaux P.  1999.  From polypeptide sequences to structures using Monte Carlo simulations and an optimized potential. J. Chem. Phys.. 111:2301–2310.
Derreumaux P, Schlick T..  1998.  The loop opening/closing motion of the enzyme triosephosphate isomerase. Biophys. J.. 74:72–81.
Derreumaux P.  1999.  Ab initio prediction of polypeptide structure from its sequence. Comput. Phys. Commun.. 122:139–140.
Derreumaux P, Mousseau N.  2007.  Coarse-grained protein molecular dynamics simulations. J. Chem. Phys.. 126:025101.
Derreumaux P.  2003.  Role of supersecondary structural elements in protein G folding. J. Chem. Phys.. 119:4940–4944.
Derreumaux P, SCHLICK T.  1995.  LONG TIMESTEP DYNAMICS OF PEPTIDES BY THE DYNAMICS DRIVER APPROACH. Proteins-structure Function and Genetics. 21:282–302.
Derreumaux P.  2013.  coarse-grained models for protein folding ang aggregation. Methods Mol. Biol.. 924:585–600.
Derreumaux P.  2000.  Ab initio polypeptide structure prediction. Theor. Chem. Acc.. 104:1–6.
Derreumaux P.  1998.  Finding the low-energy forms of avian pancreatic polypeptide with the diffusion-process-controlled Monte Carlo method. J. Chem. Phys.. 109:1567–1574.
Derreumaux P.  2001.  Evidence that the 127-164 region of prion proteins has two equi-energetic conformations with beta or alpha features. Biophys. J.. 81:1657–1665.
Di Cera E, Robert CH, Gill SJ.  1987.  Allosteric interpretation of the oxygen-binding reaction of human hemoglobin tetramers. Biochemistry. 26:4003–4008.
Doig AJ, Derreumaux P.  2015.  Inhibition of protein aggregation and amyloid formation by small molecules. Curr. Opin. Struct. Biol.. 30:50–56.
Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Hooper NM, Faller P, Derreumaux P.  2017.  Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? ACS Chem Neurosci. 8(7):1435-1437.
Domin D, Man VHoang, Van-Oanh N-T, Wang J, Kawasaki T, Derreumaux P, Nguyen PHoang.  2018.  Breaking down cellulose fibrils with a mid-infrared laser. Cellulose. 25:5553–5568.
Dong X, Chen W, Mousseau N, Derreumaux P.  2008.  Energy landscapes of the monomer and dimer of the Alzheimer's peptide A beta(1-28). J. Chem. Phys.. 128:125108.
Dorofeyev VE, Mazur AK.  1993.  Optimization of numerical algorithms for internal coordinate molecular dynamics. J. Comput. Phys.. 107:359–366.

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