The online webinar and training program “Advancement in Computational Drug Design (ACDD-2025)”, organized by the Department of Applied Sciences, Indian Institute of Information Technology Allahabad (IIIT Allahabad) from 2nd to 4th December 2025, aims to highlight recent advancements transforming modern drug discovery and development. Esteemed international experts will discuss how computational tools accelerate lead identification, improve pharmacokinetic and ADME properties, and reduce experimental costs. The program will emphasize the integration of big data analytics and cloud-based platforms to promote innovation in drug design workflows. Additionally, the Schrödinger Science and Technology Support Team will offer hands-on training on molecular modeling, docking, and molecular dynamics (MD) simulations, and providing participants with practical insights into structure-based drug design and biomolecular interaction analysis.
Salient Features of the Workshop
* To gain insights from eminent international speakers on recent advancements in computational drug design. * To familiarize participants with the fundamental concepts of molecular modeling and computational drug design workflows. * To introduce ADME prediction techniques for evaluating the pharmacokinetic and drug-like properties of compounds. * To provide hands-on experience in molecular docking and interaction analysis using the Maestro software. * To train participants in setting up, running, and analyzing molecular dynamics (MD) simulations using Desmond.
Who can apply?
Undergraduate (UG) and postgraduate students (PG), research scholars, and faculty members working in the fields of computational drug design, molecular modeling, bioinformatics, chemoinformatics, pharmaceutical sciences, and other related disciplines are eligible to apply. All registered participants will receive a certificate of participation upon successful completion of the webinar and training program.
