G. Narahari Sastry has been involved in developing an indigenous software which aims to strengthen the computational drug discovery, and thereby working towards Aatma Nirbhar Bharat. He has led a number of diverse research programs which are of both fundamental and applied importance. Dr. Sastry is also involved in a number of outreach programs and widely travelled across the globe and has visited over 25 countries. His stays as a visiting professor(faculty) in Japan, USA, Germany and Switzerland, besides several short visits to attend and organize meetings abroad has established a strong relationship in building international collaborations across the disciplines. \\r\\n• With about 300 publications across various disciplines and excellent citations across the disciplines illustrate that the highly interdisciplinary approaches are the integral part of the research group. These research topics strongly connect the four paradigms of science: experimental, theoretical, modelling and data science research. \\r\\n• Fundamental contributions in supramolecular chemistry which itself is a highly interdisciplinary area.\\r\\n• Prolific contributions in the area of a) Noncovalent interactions, especially with fundamental contributions in the area of ion-molecule interactions, b) Cooperativity of noncovalent interactions a concept that has been developed by his group, c) Computer aided drug design, d) Aromaticity, e) bucky bowl chemistry f) pericyclic reactions g) Machine learning applications for drug screening, h) Development strategies to model selectivity, permeability and drug molecule screening using dynamic pharmacophore modelling, polypharmacology and network pharmacology approaches.\\r\\n• Several of the computational predictions from his group are verified experimentally and new experiments are carried out based on the computational methods.\\r\\n• Trained 27 Ph.D.’s, 20 Postdocs, and over 200 students who carried out projects for various dissertation works such as, M.Tech., M. Pharm, M.Sc., B.Tech. and B. Pharm courses. \\r\\n• Worked on industrially relevant projects as well as collaborated with Industry.\\r\\n• Developing indigenous software for drug design, discovery and development with a novel approach, namely disease specific portal development, is one of the most active roles taken by GNS group. This mission is aimed to end overdependency of CADD software, and leads to saving academic institutions spending crores of rupees on buying commercial software.\\r\\n