Homology modeling, molecular docking and MD simulation studies to investigate role of cysteine protease from Xanthomonas campestris in degradation of Aβ peptide. - Maruti J. Dhanavade; Chidambar B. Jalkute; Sagar H. Barage; Kailas Sonawane (Comput. Biol. Medicine, 2013)

Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines. - Prakash Bansode; R. Anantacharya; Maruti Dhanavade; Subodh Kamble; Sagar Barale; Kailas Sonawane; Nayak D. Satyanarayan; Gajanan Rashinkar (Comput. Biol. Chem., 2019)

Structural significance of Neprylysin from Streptococcus suis GZ1 in the degradation of Aβ peptides, a causative agent in Alzheimer's disease. - Subodh Kamble; Sagar Barale; Maruti Dhanavade; Kailas Sonawane (Comput. Biol. Medicine, 2021)

Structure based virtual screening, molecular dynamic simulation to identify the oxadiazole derivatives as inhibitors of Enterococcus D-Ala-D-Ser ligase for combating vancomycin resistance. - Sneha B. Paymal; Sagar Barale; Shirishkumar V. Supanekar; Kailas Sonawane (Comput. Biol. Medicine, 2023)