Publications
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2019. Effects of all-atom molecular mechanics force fields on amyloid peptide assembly: the case of aβ16–22 dimer. Journal of chemical theory and computation. 15:1440–1452.
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2018. Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study. The Journal of Chemical Physics. 148:094505.
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2016. Picosecond infrared laser-induced all-atom nonequilibrium molecular dynamics simulation of dissociation of viruses. Phys. Chem. Chem. Phys.. 18:11951–11958.
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2019. Interaction mechanism between the focused ultrasound and lipid membrane at the molecular level. The Journal of chemical physics. 150:215101.
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2017. Conformational Ensembles of the Wild-Type and S8C Aβ1-42 Dimers.. J Phys Chem B. 121(11):2434-2442.
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1991. NMR and conformational studies of the cyclobutane ring involved in the bicyclo [4.2. 0] octane system of a tetracyclic diterpene structure. Magn. Reson. Chem.. 29:870–877.
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2002. Water rotational relaxation and diffusion in hydrated lysozyme. J. Am. Chem. Soc.. 124:6787–91.
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2023. It Takes Tau to Tango: Investigating the Fuzzy Interaction between the R2-Repeat Domain and Tubulin C-Terminal Tails. Biochemistry. 62:2492–2502.
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2019. QuickSES: A Library for Fast Computation of Solvent Excluded Surfaces. Workshop on Molecular Graphics and Visual Analysis of Molecular Data.
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2019. Molecular Graphics: Bridging Structural Biologists and Computer Scientists.. Structure. 27(11):1617-1623.
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2020. Scruter les molécules en réalité virtuelle, pour quoi faire ? L'Actualité Chimique. (448):23–26.
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2020. Visualizing protein structures - tools and trends.. Biochem Soc Trans.
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2019. Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics. J. Phys. Chem. Lett.. 10
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2006. Yeast Naked DNA Spatial Organization Predisposes to Transcriptional Regulation. International Conference on Computational Science and its Applications (ICCSA 2006). 3984:222–231.
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2019. Involvement of the GABAA receptor α subunit in the mode of action of etifoxine. Pharmacological research. 145:104250.
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2009. A fast method for large-scale De Novo peptide and miniprotein structure prediction.. J. Comput. Chem..
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2007. A coarse-grained protein force field for folding and structure prediction. Proteins: Struct., Funct., Bioinf.. 69:394–408.
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2010. A Fast Method for Large-Scale De Novo Peptide and Miniprotein Structure Prediction. J. Comput. Chem.. 31:726–738.
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2009. PEP-FOLD: an online resource for de novo peptide structure prediction.. Nucleic Acids Res.. 37:W498–W503.
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2009. PEP-FOLD: an online resource for de novo peptide structure prediction. Nucleic Acids Res.. 37:W498-W503.
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2001. Hydration and structural alterations of A-DNA. Implications for the accuracy of DNA replication. Cell. Mol. Biol. (noisy-le-grand). 47:815–822.
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1998. Hydration and recognition of methylated CpG steps in DNA. Embo J.. 17:2709–2718.
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1997. Effect of cytosine methylation on DNA-DNA recognition at CpG steps. J. Mol. Biol.. 270:328–335.
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2005. Electrostatic polymer condensation and the A/B polymorphism in DNA: Sequence effects. J. Chem. Theory Comput.. 1:325–336.
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1983. Kinetics of glucose accumulation during depolimerization of polysaccharides by enzymes with different mechanisms of action. Mol. Biol.. 17:101–111.