Information Theory-Based Scoring Function for the Structure-Based Prediction of Protein-Ligand Binding Affinity. - Mahesh Kulharia; Roger S. Goody; Richard M. Jackson (J. Chem. Inf. Model., 2008)

Structural Distortion of β-Cyclodextrin Plays a Key Role in the pH-dependent Host-Guest Chemistry with Doxorubicin, Evident by the Electrochemical and Molecular Dynamics Approach. - Jyotsnamayee Nayak; Ashita Sood; Mahesh Kulharia; Suban K. Sahoo; Rajender Kumar (J. Chem. Inf. Model., 2023)