Publications

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Book
Lavery R, Sacquin-Mora S.  2009.  Coarse-graining protein mechanics. Coarse-Graining of Condensed Phase and Biomolecular Systems
Book Chapter
Baaden M, Barboiu M, Borthakur MPratim, Chen C-L, Coalson R, Davis J, Freger V, Gong B, Hélix-Nielsen C, Hickey R et al..  2018.  Applications to water transport systems: general discussion.. Faraday Discuss. 209:389-414.
Baaden M, Barboiu M, Bill RM, Chen C-L, Davis J, Di Vincenzo M, Freger V, Fröba M, Gale PA, Gong B et al..  2018.  Biomimetic water channels: general discussion.. Faraday Discuss. 209:205-229.
Baaden M, Barboiu M, Bill RM, Chen C-L, Davis J, Di Vincenzo M, Freger V, Fröba M, Gale PA, Gong B et al..  2018.  Biomimetic water channels: general discussion.. Faraday Discuss. 209:205-229.
Baaden M, Borthakur MPratim, Casanova S, Coalson R, Freger V, Gonzalez M, Góra A, Hinds B, Hirunpinyopas W, Hummer G et al..  2018.  The modelling and enhancement of water hydrodynamics: general discussion.. Faraday Discuss. 209:273-285.
Baaden M, Borthakur MPratim, Casanova S, Coalson R, Freger V, Gonzalez M, Góra A, Hinds B, Hirunpinyopas W, Hummer G et al..  2018.  The modelling and enhancement of water hydrodynamics: general discussion.. Faraday Discuss. 209:273-285.
Baaden M, Barboiu M, Bill RM, Casanova S, Chen C-L, Conner M, Freger V, Gong B, Góra A, Hinds B et al..  2018.  Structure and function of natural proteins for water transport: general discussion.. Faraday Discuss. 209:83-95.
Journal Article
Nasica-Labouze J, Nguyen PH, Sterpone F, Berthoumieu O, Buchete N-V, Cote S, De Simone A, Doig AJ, Faller P, Garcia A et al..  2015.  Amyloid beta Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies. Chem. Rev.. 115:3518–3563.
Gan H.H, Perow R.A, Roy S., , Yan S., Nicoletta A., D. Vafai SJ, Wang L., Noah J.E, Pasquali S. et al..  2002.  Analysis of Protein Sequence/Structure Similarity Relationships. Biophys. J.. 83:2781–2791.
Timsit Y, Vilbois E., Moras D..  1991.  Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures. Nature. 354:167–170.
Domin D, Man VHoang, Van-Oanh N-T, Wang J, Kawasaki T, Derreumaux P, Nguyen PH.  2018.  Breaking down cellulose fibrils with a mid-infrared laser. Cellulose. 25:5553–5568.
Francia F., Malferrari M., Sacquin-Mora S, Venturoli G..  2009.  Charge Recombination Kinetics and Protein Dynamics in Wild Type and Carotenoid-less Bacterial Reaction Centers: Studies in Trehalose Glasses. J. Phys. Chem. B. 113:10389–1398.
Grutter T., L. de Carvalho P, Virginie D., Taly A, Fischer M., Changeux J-P.  2005.  A chimera encoding the fusion of an acetylcholine-binding protein to an ion channel is stabilized in a state close to the desensitized form of ligand-gated ion channels. C. R. Biol.. 328:223–234.
Viet MHoang, Derreumaux P, Nguyen PH.  2015.  Communication: Multiple atomistic force fields in a single enhanced sampling simulation. J. Chem. Phys.. 143:021101.
Viet MHoang, Derreumaux P, Nguyen PH.  2015.  Communication: Multiple atomistic force fields in a single enhanced sampling simulation.. The Journal of Chemical Physics. 143:021101–021101.
Fleishman SJ, Whitehead TA, Strauch E-M, Corn JE, Qin S, Zhou H-X, Mitchell JC, Demerdash ONA, Takeda-Shitaka M, Terashi G et al..  2011.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.. J. Mol. Biol.. 414:289–302.
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, 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.
WILSON KJ, Derreumaux P, VERGOTEN G, PETICOLAS WL.  1989.  CONFORMATIONAL STUDIES OF NEUROACTIVE LIGANDS .2. SOLUTION-STATE CONFORMATIONS OF ACETYLCHOLINE. J. Phys. Chem.. 93:1351–1357.
Tung NThanh, Derreumaux P, Vu VV, Nam PCam, Ngo STung.  2019.  C-Terminal Plays as the Possible Nucleation of the Self-Aggregation of the S-Shape Aβ Tetramer in Solution: Intensive MD Study.. ACS Omega. 4(6):11066-11073.

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