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Journal of Chemical Information and Modeling|September 10, 2024
Molecular Basis of the Substrate Specificity of Phosphotriesterase from Pseudomonas diminuta: A Combined QM/MM MD and Electron Density StudyTatiana I Mulashkina, Anna M Kulakova, Maria G KhrenovaJournal of Chemical Information and Modeling|July 29, 2025
Enzymatic P-O Bond Cleavage: Criteria of Dissociative and Associative MechanismsTatiana I Mulashkina, Anna M Kulakova, Maria G KhrenovaInternational 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.International Journal of Molecular Sciences|June 13, 2025
Substrate Activation Efficiency in Active Sites of Hydrolases Determined by QM/MM Molecular Dynamics and Neural NetworksIgor V Polyakov, Yulia I Meteleshko, Tatiana I Mulashkina, et al.ACS Sensors|September 4, 2025
Enabling Fluorescence Lifetime Imaging Multiplexing Using UnaG through Its Modification with Canonical and Noncanonical Amino AcidsValentina V Terekhova, Daria V Bodunova, Egor S Gorokhov, et al.Pageof 1