Publications

Export 803 results:
Author Title Type [ Year(Asc)]
2017
Lu Y, Shi X-F, Salsbury FR, Derreumaux P.  2017.  Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42).. J Chem Phys. 146(14):145101.
Lesage A., Lelièvre T., Stoltz G., Hénin J.  2017.  Smoothed biasing forces yield unbiased free energies with the extended-system Adaptive Biasing Force method. J. Phys. Chem. B. 121(15):3676–3685.
Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW.  2017.  String method solution of the gating pathways for a pentameric ligand-gated ion channel.. Proc Natl Acad Sci U S A. 114(21):E4158-E4167.
Beedle AEM, Mora M, Lynham S, Stirnemann G, Garcia-Manyes S.  2017.  Tailoring protein nanomechanics with chemical reactivity. Nat Commun. 8:15658.
Kozlikova B., Krone M., Falk M., Lindow N., Baaden M, Baum D., Viola I., Parulek J., Hege H.-C..  2017.  Visualization of Biomolecular Structures: State of the Art Revisited: Visualization of Biomolecular Structures. Computer Graphics Forum. 36:178–204.
Garnier C, Briki F, Nedelec B, Le Pogamp P, Dogan A, Rioux-Leclercq N, Goude R, Beugnet C, Martin L, Delpech M et al..  2017.  VLITL is a major cross-β-sheet signal for fibrinogen Aα-chain frameshift variants.. Blood. 130(25):2799-2807.
Mazur AK.  2017.  Weak nanoscale chaos and anomalous relaxation in DNA. Phys. Rev. E. 95:062417.
Mazzanti L, Doutreligne S, Gageat C, Derreumaux P, Taly A, Baaden M, Pasquali S.  2017.  What Can Human-Guided Simulations Bring to RNA Folding? Biophys J. 113(2):302-312.
Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PH, 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.
2016
Tran T-T, Nguyen PH, Derreumaux P.  2016.  Alzheimer’s Disease: Insights into Amyloid Fibril Formation from Lattice Monte Carlo Simulations. Biophys. J.. 110:219A.
Nguyen HLinh, Thu TThi Minh, Truong PMinh, Lan PDang, Man VHoang, Nguyen PH, 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.
Sacquin-Mora S.  2016.  Bridging Enzymatic Structure Function via Mechanics: A Coarse-Grain Approach. Methods in Enzymology. :227–248.
Chiricotto M., Tran T-T, Nguyen P.H, Melchionna S., Sterpone F, Derreumaux P..  2016.  Coarse-grained and All-atom Simulations towards the Early and Late Steps of Amyloid Fibril Formation. Isr. J. Chem.. DOI: 10.1002/ijch.201600048.
Stadlbauer P, Mazzanti L, Cragnolini T, Wales DJ, Derreumaux P, Pasquali S, Sponer J.  2016.  Coarse-Grained Simulations Complemented by Atomistic Molecular Dynamics Provide New Insights into Folding and Unfolding of Human Telomeric G-Quadruplexes. J. Chem. Theory Comput.. 12:6077–6097.
Nguyen PH, 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.
da Silva FLuis Barro, Pasquali S, Derreumaux P, Dias LGustavo.  2016.  Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin. Soft Matter. 12:5600–5612.
Kynast P, Derreumaux P, Strodel B.  2016.  Evaluation of the coarse-grained OPEP force field for protein-protein docking. Bmc Biophysics. 9
Jaiteh M, Taly A, Hénin J.  2016.  Evolution of Pentameric Ligand-Gated Ion Channels: Pro-Loop Receptors.. Plos One. 11:e0151934.
Vamparys L, Laurent B., Carbone A., Sacquin-Mora S.  2016.  Great interactions: How binding incorrect partners can teach us about protein recognition and function. Proteins: Struct., Funct., Bioinf.. :n/a-n/a.
Mazur AK.  2016.  Homologous Pairing between Long DNA Double Helices. Phys. Rev. Lett.. 116:158101.
Roth CA, Dreyfus T, Robert CH, Cazals F.  2016.  Hybridizing Rapidly Exploring Random Trees and Basin Hopping Yields an Improved Exploration of Energy Landscapes. J. Comput. Chem.. 37:752.
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F.  2016.  Hydrodynamic Effects on Amyloid-beta Aggregation. Biophys. J.. 110:219A.
Chiricotto M, Melchionna S, Derreumaux P, Sterpone F.  2016.  Hydrodynamic effects on beta-amyloid (16-22) peptide aggregation. J. Chem. Phys.. 145
Nguyen PH, Sterpone F, Campanera JM, Nasica-Labouze J, Derreumaux P.  2016.  Impact of the A2V Mutation on the Heterozygous and Homozygous A beta 1-40 Dimer Structures from Atomistic Simulations. Acs Chem. Neurosci.. 7:823–832.
Lima CRibeiro, Carels N, Guimaraes ACarolina R, Tuffery P, Derreumaux P.  2016.  In silico structural characterization of protein targets for drug development against Trypanosoma cruzi. J. Mol. Model.. 22

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