Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease. - Sudeep Roy; Akhil Kumar 004; Ivo Provazník (BIBM, 2014)

A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer's disease. - Akhil Kumar 004; Gaurava Srivastava; Ashok Sharma (Comput. Biol. Chem., 2017)

Peripheral Linker Mediates Acyl Carrier Protein's Recognition of Dehydratase and Stabilizes Type-I Mycobacterium tuberculosis Fatty Acid Synthase. - Akhil Kumar 004; Manisha Sharma; Harshwardhan H. Katkar (J. Chem. Inf. Model., 2024)