Zobrazeno 1 - 10
of 34
pro vyhledávání: '"François-Yves Dupradeau"'
Publikováno v:
Molecules, Vol 28, Iss 2, p 826 (2023)
Interaction of β-D-glucopyranuronic acid (GlcA), N-acetyl-β-D-glucosamine (GlcNAc), N-acetyl-β-D-galactosamine (GalNAc) and two natural decameric glycosaminoglycans, hyaluronic acid (HA) and Chondroitin (Ch) with carboxylated carbon nanotubes, wer
Externí odkaz:
https://doaj.org/article/c7d5a5d354c0429dab9c9bcfdc7c6d86
Publikováno v:
Crystal Growth & Design
Crystal Growth & Design, 2016, 16 (4), pp.2249-2259. ⟨10.1021/acs.cgd.6b00052⟩
Crystal Growth & Design, 2016, 16 (4), pp.2249-2259. ⟨10.1021/acs.cgd.6b00052⟩
International audience; Understanding the driving forces observed during the first steps of beta-hematin crystal formation is vital in view of developing new therapeutic treatments against malaria. In this context a new additive Amber force field spe
Publikováno v:
Biochimica et Biophysica Acta:Biomembranes
Biochimica et Biophysica Acta:Biomembranes, Elsevier, 2014, 1838, pp.493-509. ⟨10.1016/j.bbamem.2013.10.012⟩
Biochimica et Biophysica Acta:Biomembranes, 2014, 1838, pp.493-509. ⟨10.1016/j.bbamem.2013.10.012⟩
Biochimica et Biophysica Acta:Biomembranes, Elsevier, 2014, 1838, pp.493-509. ⟨10.1016/j.bbamem.2013.10.012⟩
Biochimica et Biophysica Acta:Biomembranes, 2014, 1838, pp.493-509. ⟨10.1016/j.bbamem.2013.10.012⟩
International audience; In this paper, we describe molecular dynamics simulation results of the interactions between four peptides (mTM10, mTM16, TM17 and KTM17) with micelles of dodecylphosphocholine (DPC) and dodecyl-β-Dmaltoside (DDM). These pept
Autor:
Eric Wickstrom, Brian D. Gray, Dalip Sethi, François-Yves Dupradeau, Amrita Singh, Jeffrey M. Sanders, Fan Wang, Mathew L. Thakur, Matthew E. Wampole, Chang-Po Chen
Publikováno v:
The Journal of Physical Chemistry B. 117:11584-11595
Genetic disorders can arise from single base substitutions in a single gene. A single base substitution for wild type guanine in the twelfth codon of KRAS2 mRNA occurs frequently to initiate lung, pancreatic, and colon cancer. We have observed single
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (11), pp.4610-4623. ⟨10.1021/ct3003207⟩
Journal of Chemical Theory and Computation, 2012, 8 (11), pp.4610-4623. ⟨10.1021/ct3003207⟩
Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (11), pp.4610-4623. ⟨10.1021/ct3003207⟩
Journal of Chemical Theory and Computation, 2012, 8 (11), pp.4610-4623. ⟨10.1021/ct3003207⟩
We present the first comparative molecular dynamics investigation for a dodecylphosphocholine (DPC) micelle performed in condensed phase using the CHARMM36, GROMOS53A6, GROMOS54A7, and GROMOS53A6/Berger force fields and a set of parameters developed
Autor:
José M. García Fernández, José Kovensky, François-Yves Dupradeau, Emma Salomonsson, Hakon Leffler, Mariano Ortega-Muñoz, Ulf J. Nilsson, Enguerran Vanquelef, Sébastien G. Gouin
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
13 páginas, 8 figuras, 1 tabla, 3 esquemas
Multimeric lactosides based on carbohydrate scaffolds with valencies ranging from 1 to 4 and different linker lengths were synthesized by a copper-catalyzed azide–alkyne cycloaddition (CuAAC). The bi
Multimeric lactosides based on carbohydrate scaffolds with valencies ranging from 1 to 4 and different linker lengths were synthesized by a copper-catalyzed azide–alkyne cycloaddition (CuAAC). The bi
Publikováno v:
Human Genetics. 117:467-475
In Caucasians, 4-35% of hemochromatosis patients carry at least one chromosome without a common HFE mutation (i.e. C282Y, H63D and S65C). Several studies have now shown that iron overload phenotypes in such patients can be associated with uncommon HF
Autor:
Dominique Guillaume, Javier Ulises Ortiz Mayo, François-Yves Dupradeau, Jean-Louis Fourrey, Pascale Clivio
Publikováno v:
The Journal of Organic Chemistry. 69:4797-4801
Far-UV photolysis of 4-thiothymidylyl(3'-5')thymidine led to the formation of three stable derivatives: one resulting from a combination between a 3'-end methylene radical and a 5'-end C(4) radical [4-(alpha-thyminyl) derivative] and two formed after
Autor:
G.érald Le Gac, Virginie Scotet, Catherine Mura, Jacques Rochette, Sandrine Jacolot, Anne-Yvonne Mercier, Germain Esnault, François-Yves Dupradeau, Claude Férec
Publikováno v:
Blood Cells, Molecules, and Diseases. 30:231-237
In Caucasians, from 4 to 35% of hereditary hemochromatosis (HH) patients carry a least one chromosome without a common assigned HFE mutation (i.e., C282Y, H63D, and S65C). We have undertaken a D-HPLC scanning of the HFE coding region in such patients
Publikováno v:
Journal of Molecular Modeling. 7:422-432
A program for converting the different existing AMBER and GLYCAM force fields for use with commercial molecular modeling packages is presented, using the Molecular Simulations Inc. (MSI or Accelrys) software package as a case model. Called AmberFFC,