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Alexey Aleksandrov
Alexey Aleksandrov
Reseracher CNRS, Laboratoire d’Optique et Biosciences (CNRS UMR7645, INSERM U1182), Ecole Polytechnique, Institut polytechnique de Paris, F-91128 Palaiseau, France
Adresă de e-mail confirmată pe polytechnique.edu
Titlu
Citat de
Citat de
Anul
An overview of electrostatic free energy computations for solutions and proteins
YL Lin, A Aleksandrov, T Simonson, B Roux
Journal of chemical theory and computation 10 (7), 2690-2709, 2014
1362014
Mechanism and dynamics of fatty acid photodecarboxylase
D Sorigué, K Hadjidemetriou, S Blangy, G Gotthard, A Bonvalet, ...
Science 372 (6538), eabd5687, 2021
1122021
Molecular dynamics simulations show that conformational selection governs the binding preferences of imatinib for several tyrosine kinases
A Aleksandrov, T Simonson
Journal of Biological Chemistry 285 (18), 13807-13815, 2010
882010
Additive CHARMM force field for naturally occurring modified ribonucleotides
Y Xu, K Vanommeslaeghe, A Aleksandrov, AD MacKerell Jr, L Nilsson
Journal of computational chemistry 37 (10), 896-912, 2016
762016
Alchemical free energy simulations for biological complexes: powerful but temperamental…
A Aleksandrov, D Thompson, T Simonson
Journal of Molecular Recognition: An Interdisciplinary Journal 23 (2), 117-127, 2010
702010
Protonation patterns in tetracycline: tet repressor recognition: simulations and experiments
A Aleksandrov, J Proft, W Hinrichs, T Simonson
ChemBioChem 8 (6), 675-685, 2007
532007
Tet repressor induction by tetracycline: a molecular dynamics, continuum electrostatics, and crystallographic study
A Aleksandrov, L Schuldt, W Hinrichs, T Simonson
Journal of molecular biology 378 (4), 898-912, 2008
512008
Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure
J Létoquart, N Van Tran, V Caroline, A Aleksandrov, N Lazar, ...
Nucleic acids research 43 (22), 10989-11002, 2015
482015
Additive CHARMM36 force field for nonstandard amino acids
A Croitoru, SJ Park, A Kumar, J Lee, W Im, AD MacKerell Jr, ...
Journal of chemical theory and computation 17 (6), 3554-3570, 2021
442021
Nonantibiotic properties of tetracyclines: structural basis for inhibition of secretory phospholipase A2
D Dalm, GJ Palm, A Aleksandrov, T Simonson, W Hinrichs
Journal of molecular biology 398 (1), 83-96, 2010
442010
Molecular dynamics simulations of the 30S ribosomal subunit reveal a preferred tetracycline binding site
A Aleksandrov, T Simonson
Journal of the American Chemical Society 130 (4), 1114-1115, 2008
412008
Mechanism of activation of elongation factor Tu by ribosome: catalytic histidine activates GTP by protonation
A Aleksandrov, M Field
Rna 19 (9), 1218-1225, 2013
362013
Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2
E Dubiez, A Aleksandrov, C Lazennec-Schurdevin, Y Mechulam, ...
Nucleic acids research 43 (5), 2946-2957, 2015
342015
Sampling the conformational energy landscape of a hyperthermophilic protein by engineering key substitutions
JP Colletier, A Aleksandrov, N Coquelle, S Mraihi, E Mendoza-Barberá, ...
Molecular biology and evolution 29 (6), 1683-1694, 2012
332012
A molecular mechanics model for imatinib and imatinib: kinase binding
A Aleksandrov, T Simonson
Journal of computational chemistry 31 (7), 1550-1560, 2010
312010
Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solvent
A Aleksandrov, S Polydorides, G Archontis, T Simonson
The Journal of Physical Chemistry B 114 (32), 10634-10648, 2010
302010
Tetracycline-tet repressor binding specificity: insights from experiments and simulations
A Aleksandrov, L Schuldt, W Hinrichs, T Simonson
Biophysical journal 97 (10), 2829-2838, 2009
302009
Molecular mechanics models for tetracycline analogs
A Aleksandrov, T Simonson
Journal of computational chemistry 30 (2), 243-255, 2009
302009
Binding of tetracyclines to elongation factor Tu, the Tet repressor, and the ribosome: a molecular dynamics simulation study
A Aleksandrov, T Simonson
Biochemistry 47 (51), 13594-13603, 2008
272008
Binding of tetracyclines to elongation factor Tu, the Tet repressor, and the ribosome: a molecular dynamics simulation study
A Aleksandrov, T Simonson
Biochemistry 47 (51), 13594-13603, 2008
272008
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Articole 1–20