In Silico Molecular Modeling and Docking in Drug Development

In silico molecular modeling and docking play a crucial role in modern drug development by enabling the prediction and analysis of molecular interactions between drug candidates and their biological targets. This workshop covers both the theoretical foundations and practical applications of these techniques, focusing on molecular dynamics, binding site identification, and virtual screening. Participants will learn to use various software tools and databases, perform molecular modeling and docking studies, and interpret the results to inform drug design.

Throughout the 5-day workshop, participants will engage in hands-on sessions and projects that simulate real-world drug discovery scenarios. They will gain experience in setting up and running molecular simulations, analyzing docking results, and optimizing drug candidates based on computational predictions. By the end of the workshop, participants will be proficient in using in silico methods to enhance the efficiency and effectiveness of drug development processes, making them valuable assets in pharmaceutical and biotechnology industries.

The workshop aims to equip participants with comprehensive knowledge and practical skills in in silico molecular modeling and docking techniques. This knowledge will be essential for accelerating the drug discovery process and optimizing drug candidates through computational methods.

• Understand the principles of molecular modeling and docking.
• Master the use of computational tools for drug discovery.
• Perform virtual screening and binding site analysis.
• Interpret docking results and optimize drug candidates.
• Apply in silico techniques to real-world drug development projects.

• Undergraduate degree in Bioinformatics, Biotechnology, Chemistry, Pharmaceutical Sciences, or related fields.
• Professionals working in pharmaceutical or biotechnology industries.
• Individuals with a keen interest in drug discovery and computational modeling.

• Participants will gain expertise in molecular modeling and docking, enabling them to design and optimize drug candidates using computational methods.
• They will be able to perform virtual screening, analyze binding interactions, and contribute to the drug discovery process with advanced in silico techniques.