Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design.
Timofey V. LosevIgor S. GerasimovMaria V. PanovaAlexey A. LisovYana R. AbdyushevaPolina V. RusinaEugenia ZaletskayaOleg V. StroganovMichael G. MedvedevFedor N. NovikovPublished in: J. Chem. Inf. Model. (2023)