In silico molecular modeling and docking play a crucial role in modern drug discovery and development by enabling the prediction and analysis of molecular interactions between drug candidates and their biological targets. This computational drug design course covers both the theoretical foundations and practical applications of these techniques, focusing on molecular dynamics simulations, binding site identification, virtual screening, and structure-based drug design (SBDD).
Participants will learn to use various molecular docking software and biological databases to perform ligand-receptor docking studies, structure validation, and binding affinity estimation. Emphasis is placed on using tools like PyRx, ArgusLab, and ChemSketch to simulate real-world drug discovery pipelines.
Through hands-on sessions and projects, participants will gain experience in lead optimization, QSAR modeling, and energy minimization techniques—making them proficient in computational workflows commonly used in pharmaceutical R&D and biotechnology innovation.
The program aims to equip participants with comprehensive knowledge and practical experience in in silico drug design methods including ligand-based drug design (LBDD), homology modeling, and molecular interaction studies. It prepares learners to accelerate the hit-to-lead process and perform AI-driven drug candidate optimization using virtual screening strategies.
Standard: ₹14,998 | $258
Discounted: ₹7499 | $129
We accept 20+ global currencies. View list →
Yes. Paid participants get the session recordings and study material in their NanoSchool dashboard (My registrations → Recorded Lectures / Study Material).
Watch the recording in your dashboard and send your questions to the mentor through the support desk.
Yes, an e-certificate of participation after the workshop, with a QR code anyone can verify and an "Add to LinkedIn" button.
Choose the category that matches your current role: Student, Ph.D. Scholar / Researcher, Academician / Faculty or Industry Professional.
By card, UPI or PayPal on the payment page; international bank transfer is also available there.
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Live, mentor-led and certified. Dates and times in IST.
