Export 706 results:
Author Title [ Type(Asc)] Year
Journal Article
Viet MHoang, Derreumaux P, Li MSuan, Roland C, Sagui C, Nguyen PH.  2015.  Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study. J. Chem. Phys.. 143:155101.
Nguyen PH, Gorbunov RD, Stock G.  2006.  Photoinduced conformational dynamics of a photoswitchable peptide: A nonequilibrium molecular dynamics simulation study. Biophys. J.. 91:1224–1234.
Prévost C, Louise-May S, Ravishanker G, Lavery R, Beveridge DL.  1993.  Persistence analysis of the static and dynamical helix deformations of DNA oligonucleotides: application to the crystal structure and molecular dynamics simulation of d(CGCGAATTCGCG)2. Biopolymers. 33:335–50.
Lamiable A, Thevenet P, Rey J, Vavrusa M, Derreumaux P, Tuffery P.  2016.  PEP-FOLD3: faster denovo structure prediction for linear peptides in solution and in complex. Nucleic Acids Res.. 44:W449-W454.
Thevenet P, Shen Y, Maupetit J, Guyon F, Derreumaux P, Tuffery P.  2012.  PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides. Nucleic Acids Res.. 40:W288-W293.
Maupetit J, Derreumaux P, Tuffery P.  2009.  PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res.. 37:W498-W503.
Maupetit J, Derreumaux P, Tuffery P.  2009.  PEP-FOLD: an online resource for de novo peptide structure prediction.. Nucleic Acids Res.. 37:W498–W503.
Santini S, Wei GH, Mousseau N, Derreumaux P.  2004.  Pathway complexity of Alzheimer's beta-amyloid A beta(16-22) peptide assembly. Structure. 12:1245–1255.
Melquiond A., Gelly J.C., Mousseau N., Derreumaux P..  2007.  Probing amyloid fibril formation of the NFGAIL peptide by computer simulations. J. Chem. Phys.. 126:065101.
Sinha D.K, Neveu P., Gagey N., Aujard I., Benbrahim-Bouzidi C., Le Saux T., Rampon C., Gauron C., Goetz B., Dubruille S. et al..  2010.  Photocontrol of protein activity in cultured cells and zebrafish with one- and two-photon illumination. Chembiochem. 11:653–663.
Gill SJ, Di Cera E, Doyle ML, Bishop GA, Robert CH.  1987.  Oxygen binding constants for human hemoglobin tetramers. Biochemistry. 26:3995–4002.
Hénin J., Chipot C.  2004.  Overcoming free energy barriers using unconstrained molecular dynamics simulations. J. Chem. Phys.. 121:2904–2914.
Cox K, Bond PJ, Grottesi A, Baaden M, Sansom MSP.  2008.  Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers. European Biophysics Journal with Biophysics Letters. 37:131–141.
Mazur AK.  2013.  On the origin of thermal untwisting of DNA. J. Phys. Chem. B. 117:1857–1861.
Xiao S, Figge F, Stirnemann G, Laage D, McGuire JA.  2016.  Orientational Dynamics of Water at an Extended Hydrophobic Interface. J Am Chem Soc. 138:5551-60.
Miné-Hattab J, Fleury G, Prévost C, Dutreix M, Viovy J-L.  2011.  Optimizing the design of oligonucleotides for homology directed gene targeting. Plos One. 6:e14795.
Dorofeyev VE, Mazur AK.  1993.  Optimization of numerical algorithms for internal coordinate molecular dynamics. J. Comput. Phys.. 107:359–366.
Sterpone F., Melchionna S., Tuffery P, Pasquali S., Mousseau N., Cragnolini T., Chebaro Y, St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Baaden M, Sansom MSP.  2004.  OmpT: Molecular dynamics simulations of an outer membrane enzyme. Biophys. J.. 87:2942–2953.
Mazur AK, Nazarova N.I, Elyakova L.A.  1985.  Oligomer distribution of depolymerase digests: Comparison of theory and experiments. Febs Lett.. 192:43–46.
Hajjar E, Perahia D, Débat H, Nespoulous C, Robert CH.  2006.  Odorant Binding and Conformational Dynamics in the Odorant-binding Protein. J. Biol. Chem.. 281:29929–29937.
Lemoine D., Habermacher C., Martz A., Mery P.F, Bouquier N., Diverchy F., Taly A, Rassendren F., Specht A., Grutter T..  2013.  Optical control of an ion channel gate. Proc. Natl. Acad. Sci. U.s.a.. 110:20813–20818.
Taly A.  2007.  Opened by a twist: a gating mechanism for the nicotinic acetylcholine receptor. Eur. Biophys. J.. 36:911–918.
Nury H., Poitevin F., Van Renterghem C., Changeux J.P, Corringer P.J, Delarue M., Baaden M..  2010.  One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue. Proc. Natl. Acad. Sci. U.s.a.. 107:6275–6280.
Pasquali S., Maggs A.C..  2009.  Numerical studies of Lifshitz interactions between dielectrics. Phys. Rev. A. 79:020102(R).