CUPB commenced a two-day Cloud-based Hands-on Workshop on Computational Structure-based Screening and Explicit Molecular Dynamics


Bathind : Central University of Punjab, Bathinda commenced a two-day cloud-based hands-on workshop on ‘Computational Structure-based Screening and Explicit Molecular Dynamics’ from May 11 onwards The Department of Pharmaceutical Sciences and Natural Products at CUPB under the patronage of Hon’ble Vice Chancellor, Prof. R. P. Tiwari, is jointly conducting this programme with Schrodinger, India to provide hands on training on structure-based drug designing to design drug molecules against various diseases. Around 131 participants working in the area of computer-aided drug discovery are participating in the event.

Prof. Raj Kumar, Dean, and Head, Department of Pharmaceutical Sciences and Natural Products welcomed the participants and explained the importance & role of Schrodinger software in Drug Discovery. Prof. P. Ramarao, Former Dean Academic Affair, CUPB in his remarks explained the importance of computational modeling for drug repurposing and drug discovery.

Mr. Raghu Rangaswamy, Vice President Schrodinger, India discussed the latest trends of computer-aided drug discovery. He also explained the role of Artificial intelligence and Machine learning in drug discovery. He informed that during this workshop, the participants would get practical experience and in-person guidance in using the Maestro GUI, covering the organic molecule sketching, protein selection, preparation, and screening for hit identification of molecules against therapeutic targets.

Dr. Prithesh Bhatt, Senior Scientist, Schrodinger explained the detailed Computer-Aided Drug Design (CADD) process including target identification and various drug discovery processes.

This two-day hands-on workshop will also include brief sessions of background theory for Molecular mechanics, Molecular Docking, and Molecular Dynamics via case studies on the real-time industrial projects.

During this programme, participants will be provided access to Schrodinger virtual workstation and training on the latest modules of Schrodinger’s CADD software.