Alexey Aleksandrov
Pièce : 84.20.16
Tél : 01 69 33 50 29
fax : 01 69 33 50 84
alexey.aleksandrov [at] polytechnique.edu
CV:
2018 – present: CR CNRS, Laboratoire d'Optique et Biosciences (LOB), Ecole Polytechnique;
2010 – 2018: Chargé de recherche (CR), CNRS, Laboratoire de Biochimie, Ecole Polytechnique;
2009 – 2010: Postdoctoral research, Institut de Biologie Structurale (IBS), Grenoble, France (supervised by Dr. Martin Field)
2008 – 2009: Postdoctoral research, Laboratoire de Biochimie, Department of Biology, Ecole Polytechnique (supervised by Prof. T. Simonson)
2004 –2008: PhD student, Laboratoire de Biochimie, Department of Biology, Ecole Polytechnique, Paris, France (supervised by Prof. T. Simonson)
Selected recent publications:
Poutoum Samire, Bo Zhuang, Bertrand Légeret, Ángel Baca-Porcel, Gilles Peltier, Damien Sorigué, Alexey Aleksandrov*, Frédéric Beisson*, Pavel Müller* Autocatalytic effect boosts the production of medium-chain hydrocarbons by fatty acid photodecarboxylase Science Advances, 2023, 9 (13), ⟨10.1126/sciadv.adg3881⟩
Zhuang B, Aleksandrov A*, Seo D*, Vos MH* Excited-State Properties of Fully Reduced Flavins in Ferredoxin-NADP+ Oxidoreductase J Phys Chem Lett. 2023 Feb 2;14(4):1096-1102
Croitoru A, Aleksandrov A. Parametrization of Force Field Bonded Terms under Structural Inconsistency. J Chem Inf Model. 2022 Oct 10;62(19):4771-4782.
Zhuang B, Vos MH, Aleksandrov A. Photochemical and Molecular Dynamics Studies of Halide Binding in Flavoenzyme Glucose Oxidase. Chembiochem. 2022 Oct 6;23(19):e202200227.
Zhuang B, Ramodiharilafy R, Liebl U, Aleksandrov A*, Vos MH*.Ultrafast photooxidation of protein-bound anionic flavin radicals. Proc Natl Acad Sci U S A. 2022, 119(8):e2118924119
Croitoru A, Park SJ, Kumar A, Lee J, Im W, MacKerell AD Jr, Aleksandrov A. Additive CHARMM36 Force Field for Nonstandard Amino Acids. J Chem Theory Comput. 2021 doi: 10.1021/acs.jctc.1c00254
D Sorigué et al. Mechanism and dynamics of fatty acid photodecarboxylase. Science. 2021, 372(6538):eabd5687. doi: 10.1126/science.abd5687.
Zhuang B, Nag L, Sournia P, Croitoru A, Ramodiharilafy R, Lambry JC, Myllykallio H, Aleksandrov A, Liebl U, Vos MH. Photochemical processes in flavo-enzymes as a probe for active site dynamics: TrmFO of Thermus thermophilus. Photochem Photobiol Sci. 2021 doi: 10.1007/s43630-021-00052-8
B Zhuang, D Seo, A Aleksandrov*, MH Vos* Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP+ Oxidoreductase. J. Am. Chem. Soc. 2021, 143, 7, 2757–2768
Croitoru A, Babin M, Myllykallio H, Gondry M, Aleksandrov A. Cyclodipeptide Synthases of the NYH Subfamily Recognize tRNA Using an α-Helix Enriched with Positive Residues. Biochemistry. 2021 Jan 12;60(1):64-76.
Myllykallio H, Becker HF, Aleksandrov A. Mechanism of Naphthoquinone Selectivity of Thymidylate Synthase ThyX. Biophys J. 2020 Dec 15;119(12):2508-2516.
Aleksandrov A, Roux B., and MacKerell, Jr. AD, pKa Calculations with the Polarizable Drude Force Field and Poisson-Boltzmann Solvation Model, J. Chem. Theory Comput. 2020, 16, 7, 4655–4668
Aleksandrov A, Lin FY, Roux B, MacKerell AD Jr. Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model. J Comput Chem. 2018; 39(22):1707-1719.
Aleksandrov A. A Molecular Mechanics Model for Flavins. J Comput Chem. 2019; 40(32):2834-2842.
Schmitt E, Bourgeois G, Gondry M, Aleksandrov A, Reaction Catalyzed by Cyclodipeptide Synthases Relies on a Conserved Tyrosine Residue. Sci Rep. 2018 Sci Rep. 2018; 8(1):7031.
Xu Y, Vanommeslaeghe K, Aleksandrov A, MacKerell AD Jr, Nilsson L. Additive CHARMM force field for naturally occurring modified ribonucleotides. J Comput Chem. 2016, 37:896-912;