RDI Cell Organizes Hands-on Workshop on “In Silico Modeling for Next-Generation Drug Design and Material Science”
The Research, Development & Innovation (RDI) Cell at KIIT Deemed to be University, in collaboration with Zastra Innovations, successfully organized a one-day hands-on workshop on “In Silico Modeling for Next-Generation Drug Design and Material Science” on 10th July 2026.
In his welcome address, Prof. Gopal C. Kundu, Director (RDI), KIIT-DU emphasized the critical role of computational tools and interdisciplinary collaboration in accelerating innovation and research across drug discovery and materials science. His remarks set a forward-looking tone for the programme, underscoring KIIT’s commitment to high-impact scientific advancement.
The technical sessions were delivered by expert speakers from Zastra Innovations: Mr. Gopukrishnan R., Senior Scientist-I (Application), CADD, and Mr. Julphukar Ali, Senior Scientist-I (Application), Materials. The resource persons shared valuable insights into the latest advancements in computational drug design and materials science while demonstrating real-world applications of industry-standard software. Participants received comprehensive hands-on training on Cresset Flare, Pandat, and Mat3ra. The modules covered key areas such as: Molecular docking and molecular dynamics, Computational drug design, Phase diagram analysis and materials informatics
Through interactive demonstrations and practical exercises, researchers explored the fundamentals of docking from scratch, followed by downstream analysis of binding affinity and Molecular Dynamics simulation using the KRAS protein to visualize cryptic pockets.
The workshop witnessed enthusiastic participation from more than 50 research scholars across diverse disciplines, along with faculty members, postdoctoral researchers, scientists, and students, reflecting a growing institutional interest in computational approaches. The event was efficiently coordinated by Dr. Amlana Panda, Assistant Registrar (RDI), alongside Ms. Diksha Malhotra and Mr. Sourasis Chattopadhyay, RDI Cell ensuring the seamless execution of all technical and organizational aspects.
The successful organization of this workshop reinforces KIIT-DU’s dedication to boosting computing infrastructure, fostering industry-academia partnerships, and driving innovation-led, interdisciplinary research by connecting scholars with contemporary technological tools.