The AI Frontier in Molecular Modelling and Drug Designing

Dr. Manish Kumar Gupta is Associate Professor in the Department of Biotechnology at Uttar Pradesh. Dr. Gupta has published more than twelve research papers, published one edited book, five book chapters and given more than twenty-seven invited lectures. Dr. Gupta is life member of various academic societies such as Federation of Asian Biotechnology Association (FABA), Association of Microbiologist of India (AMI), Society of Environmental Sustainability (Founder member) and Indian Science Congress Association (ISCA). Dr. Gupta’s focus of the research work is to extract the key regulatory elements participating in the disease pathways through integrative biology approach. To investigate those, biological tools & databases with big scale data sets generated by state-of-the-art high-throughput technology integrated for computational analysis. Sanjay Kumar is Associate Professor of Bioengineering, Chair of the UC Berkeley & UCSF Graduate Program at UC Berkeley, Faculty Scientist at Lawrence Berkeley National Laboratory and Faculty Director of the UC Berkeley & UCSF Master of Translational Medicine Program. He earned a B.S. in chemical engineering (1996) from the University of Minnesota and then moved on to Johns Hopkins University, where he earned an M.D. (2003) and a Ph.D. in molecular biophysics (2003). Since joining the UC Berkeley faculty in 2005, Dr. Kumar has been fortunate to receive a number of honors, including the Presidential Early Career Award for Scientists and Engineers (PECASE), The NIH Director's New Innovator Award, The Arnold and Mabel Beckman Young Investigator Award, the NSF CAREER Award, the Hellman Family Faculty Fund Award, and the Stem Cells Young Investigator Award.Prof (Mrs) Krishna Misra superannuated as Professor of Chemistry at University of Allahabad ,where she occupied the chair of head, Biochemistry department and was first coordinator of the Centre for Biotechnology. She is at present honorary professor and had been Co-ordinator of Indo-Russian Center for biotechnology, IIIT-Allahabad and honorary Professor at CBMR, SGPGI campus, Lucknow. She is senior scientist , fellow of National Academy of Sciences India. . She is chairperson of STEMM program of DST. She had been expert in many selection committees including UPSC, SGPGI and KGMU, Lucknow and is also on editorial boards of many national and international journals. She is member advisory board of department of Molecular Medicine, SGPGIMS , Lucknow, had been member of task force of DBT, Delhi.

• 1. Use of AI for computer aided drug designing2. Use of AI for analysis of biological and chemical databases for drug discovery3. Deep learning for protein folding4. Drug target identification and validation using AI5. AI based target-ligand binding methods6. Generative models for molecule generation7. AI enabled virtual screening8. Natural Language Processing (NLP) for drug discovery9. Role of AI in predicting drug efficacy and toxicity10. AI enabled tools used in drug designing11. AI driven clinical trials12. AI, network biology and multiomics data in drug discovery13. AI driven personalized medicine and biomarker discovery14. AI powered precision oncology15. AI emergence in nanomedicine, pharmacogenomics and biotechnology16. AI in medical image processing and translational science