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@article{178394,
        author = {Bhavesh Bharat Amrute and Nayan Rajendra Chordiya and Yash Santosh Deshmukh and Ronak Pradip Jain and Chandrashekhar Devidas Upasani},
        title = {COMPUTATIONAL METHODS & TOOLS FOR DRUG DESIGN & DISCOVERY},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {11},
        number = {12},
        pages = {8489-8497},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=178394},
        abstract = {Chemical biology and computational drug design methods are used in drug development to effectively identify and improve lead molecules. The main applications of chemical biology are to clarify the biological function of a target and the mode of action of a chemical modulator. In contrast, computer-aided drug design uses structural information about the target (structure-based) or information about existing ligands with bioactivity (ligand-based) to make it easier to identify prospective candidate medications.[1] Pharmaceutical corporations and academic research teams are now using a variety of virtual screening techniques to shorten the time and expense involved in finding a potent medicine.[2,3,8 & 9] 
The laborious process of finding new drugs can be expedited with the use of computer-aided drug discovery (CADD) systems, potentially lowering the cost of R&D. Computational approaches can now be used successfully at different stages of the drug discovery and development pipeline because to advances in biological structural knowledge and computer capacity.[4,5,6,7] Here, we provide an overview of computational approaches employed in many aspects of drug development and highlight a few cutting-edge methodologies and tools.[11, 12]},
        keywords = {CADD, LBDD, SBDD, Drug discovery, Drug development, Docking.},
        month = {May},
        }