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Journal of Molecular Modeling|May 24, 2014
All-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidumMaria G Khrenova, Alexander V Nemukhin, Bella L Grigorenko, et al.
The Journal of Physical Chemistry. B|May 20, 2011
Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophoreKsenia B Bravaya, Maria G Khrenova, Bella L Grigorenko, et al.
The Journal of Physical Chemistry. B|September 15, 2017
Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human AspartoacylaseMaria G Khrenova, Ekaterina D Kots, Sergey D Varfolomeev, et al.
International Journal of Molecular Sciences|August 10, 2024
Molecular Basis of Influence of A501X Mutations in Penicillin-Binding Protein 2 of Neisseria gonorrhoeae Strain 35/02 on Ceftriaxone ResistanceAlexandra V Krivitskaya, Maria S Kuryshkina, Maria Y Eremina, et al.
International Journal of Molecular Sciences|September 13, 2025
Mechanism for Nucleotidyl Transfer in LINE-1 ORF2p Revealed by QM/MM SimulationsIgor V Polyakov, Kirill D Miroshnichenko, Tatiana I Mulashkina, et al.
Journal of Chemical Information and Modeling|November 18, 2020
Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein ChromophoresMaria G Khrenova, Fedor D Mulashkin, Egor S Bulavko, et al.
The Journal of Physical Chemistry. B|April 14, 2015
A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type ProteinsBella L Grigorenko, Alexander V Nemukhin, Igor V Polyakov, et al.
The Journal of Physical Chemistry. B|November 2, 2017
Improving the Design of the Triple-Decker Motif in Red Fluorescent ProteinsMaria G Khrenova, Igor V Polyakov, Bella L Grigorenko, et al.
The Journal of Physical Chemistry. B|October 2, 2013
Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulationsVladimir A Mironov, Maria G Khrenova, Bella L Grigorenko, et al.
Journal of Molecular Modeling|August 7, 2017
Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculationsRajendran Niranjana Devi, Maria G Khrenova, Samuel Israel, et al.
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