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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Anna Kulakova

4 results in Authors: Anna Kulakova

Biological and Medicinal Chemistry

Modeling the Interplay of Poor Inhibitor Binding and Efficient Formation of a Covalent Adduct upon the Interaction of ARS Compounds with KRASᴳ¹²ᶜ

Maria Khrenova, Anna M. Kulakova, Alexander Nemukhin

Version 1 posted 04 September 2019

786

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Theoretical and Computational Chemistry

Molecular basis of the substrate specificity of the Pd-PTE phosphotriesterase: a combined QM/MM MD and electron density study

Tatiana Mulashkina, Anna Kulakova, Alexander Nemukhin, Maria Khrenova

Version 1 posted 07 March 2023

127

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Biological and Medicinal Chemistry

Quantum-based modeling of protein-ligand interaction: The complex of RutA with uracil and molecular oxygen

Igor Polyakov, Alexander Nemukhin, Tatiana Domratcheva, Anna Kulakova, Bella Grigorenko

Version 1 posted 22 July 2022

157

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Theoretical and Computational Chemistry

Molecular Mechanism of Light-Induced Acceleration of the Adenosine Triphosphate Conversion to the Cyclic Adenosine Monophosphate Catalyzed by the Photoactivated Adenylyl Cyclase bPAC

Alexander Nemukhin, Maria Khrenova, Anna M. Kulakova

Version 1 posted 28 October 2020

376

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