Publications

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Journal Article
Mazur AK, Petukhov M.G, Elyakova L.A.  1988.  Model of spatial random movement of depolymerase when interacting with the substrate. Biophysics. 23:417–421.
Laurent B., Murail S., Da Silva F., Corringer P.-J., Baaden M.  2012.  Modeling complex biological systems: From solution chemistry to membranes and channels. Pure Appl. Chem.. ASAP
Mazur AK.  2009.  Modeling DNA dynamics under steady deforming forces and torques. J. Chem. Theory Comput.. 5:2149–2157.
Petuhov M.G, Mazur AK.  1992.  Modeling of the possible binding modes of substrates in the active site of Taka-Amylase A. Mol. Biol.. 26:292–299.
Brandner AF, Timr S, Melchionna S, Derreumaux P, Baaden M, Sterpone F.  2019.  Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics. Scientific Reports. 9:16450.
Kozhemyako VB, Rebrikov DV, Lukyanov SA, Bogdanova EA, Marin A, Mazur AK, Kovalchuk SN, Agafonova EV, Sova VV, Elyakova LA et al..  2004.  Molecular cloning of a mollusk glucanase. Comp. Biochem. Physiol.. 137:169–178.
Kozhemyako VB, Rebrikov DV, Lukyanov SA, Bogdanova EA, Marin A, Mazur AK, Kovalchuk SN, Agafonova EV, Sova VV, Elyakova LA et al..  2004.  Molecular cloning of a mollusk glucanase. Comp. Biochem. Physiol.. 137:169–178.
Gagelin A, Largeau C, Masscheleyn S, Piel MS, Calderón-Mora D, Bouillaud F, Hénin J, Miroux B.  2023.  Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling.. Nat Commun. 14(1):2594.
Gagelin A, Largeau C, Masscheleyn S, Piel MS, Calderón-Mora D, Bouillaud F, Hénin J, Miroux B.  2023.  Molecular determinants of inhibition of UCP1-mediated respiratory uncoupling.. Nat Commun. 14(1):2594.
Baaden M, Meier C, Sansom MSP.  2003.  A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA. J. Mol. Biol.. 331:177–189.
Mazur AK.  2001.  Molecular dynamics of minimal B-DNA. J. Comput. Chem.. 22:457–467.
Dorofeyev V.E, Mazur AK.  1991.  Molecular dynamics of polymers with fixed internal structure: Choice of models and methods. Russ. J. Phys. Chem.. 65:2548–2552.
Mazur AK.  2001.  Molecular dynamics studies of sequence-directed curvature in bending locus of Trypanosome kinetoplast DNA. J. Biomol. Struct. Dyn.. 18:832–843.
Sterpone F, Pierleoni C, Briganti G, Marchit M.  2004.  Molecular dynamics study of temperature dehydration of a C12E6 spherical micelle. Langmuir. 20:4311–4.
Martinez X, Krone M, Alharbi N, Rose AS, Laramee RS, O'Donoghue S, Baaden M, Chavent M.  2019.  Molecular Graphics: Bridging Structural Biologists and Computer Scientists.. Structure. 27(11):1617-1623.
Sterpone F, Derreumaux P, Melchionna S.  2018.  Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study.. J Phys Chem B. 122(5):1573-1579.
Man VHoang, Truong PMinh, Li MSuan, Wang J, Van-Oanh N-T, Derreumaux P, Nguyen PHoang.  2018.  Molecular mechanism of the cell membrane pore formation induced by bubble stable cavitation. The Journal of Physical Chemistry B. 123:71–78.
Zhang T, Zhang J, Derreumaux P, Mu Y.  2013.  Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer. J. Phys. Chem. B. 117:3993–4002.
Sterpone F, Marchetti G, Pierleoni C, Marchi M.  2006.  Molecular modeling and simulation of water near model micelles: diffusion, rotational relaxation and structure at the hydration interface. J. Phys. Chem. B. 110:11504–10.
Sterpone F, Marchetti G, Pierleoni C, Marchi M.  2006.  Molecular modeling and simulation of water near model micelles: diffusion, rotational relaxation and structure at the hydration interface. J. Phys. Chem. B. 110:11504–10.
Abel S, Sterpone F, Bandyopadhyay S, Marchi M.  2004.  Molecular Modeling and Simulations of AOT−Water Reverse Micelles in Isooctane:  Structural and Dynamic Properties. J. Phys. Chem. B. 108:19458–19466.
Vovelle F, Prévost C, Durand M, Maurizot JC.  1996.  Molecular modelling study of the netropsin complexation with a nucleic acid triple helix. J. Biomol. Struct. Dyn.. 14:293–302.
Mazur AK.  1984.  Most probable distribution at enzyme depolymerization of polysaccharides. Biopolymers. 23:859–876.
Bezukladnikov P.V, Elyakova L.A, Mazur AK.  1992.  Multiple attack in the mechanism of endoglucanase action. Bioorg. Chem.. 18:1141–1163.
Mazur AK, Nakatani H..  1993.  Multiple attack in the porcine pancreatic alpha-amylase hydrolysis of amylose and amylopectine. Arch. Biochem. Biophys.. 306:29–38.

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