Molecular Basis of the Substrate Specificity of Phosphotriesterase from Pseudomonas diminuta: A Combined QM/MM MD and Electron Density Study. - Tatiana I. Mulashkina; Anna M. Kulakova; Maria G. Khrenova (J. Chem. Inf. Model., 2024)

Enzymatic P-O Bond Cleavage: Criteria of Dissociative and Associative Mechanisms. - Tatiana I. Mulashkina; Anna M. Kulakova; Maria G. Khrenova (J. Chem. Inf. Model., 2025)