About Workshop
The "Insilico Macromolecular Modeling & Docking" workshop offers a detailed exploration into the computational techniques used in modeling biological macromolecules and their interactions with ligands. Through immersive lectures and hands-on training in software like AutoDock, Rosetta, and MOE, participants will learn to visualize, model, and manipulate molecular structures to predict how they interact with other molecules.
Aim
This workshop is designed to equip participants with the skills to perform advanced macromolecular modeling and docking techniques, crucial for drug design and molecular biology. Students will learn to simulate molecular interactions, predict binding affinities, and utilize computational tools to aid in the discovery and development of new pharmaceuticals.
What Participants Will Learn
- Master the fundamentals of macromolecular structures and interactions.
- Develop skills in using state-of-the-art software for molecular modeling and docking.
- Understand the applications of molecular docking in drug discovery and development.
- Analyze and interpret data from computational modeling experiments.
- Prepare for advanced roles in research and development within biotechnology and pharmaceutical sectors.
Structure
Introduction to Insilico Macromolecular Modeling & Docking:
- Overview of insilico methods for studying macromolecules and their interactions.
- Introduction to molecular modeling and docking techniques and their applications.
- Introduction to software tools for visualizing macromolecular structures.
- Hands-on exercises on visualizing and analyzing protein and nucleic acid structures.
- Understanding the concept of homology modeling.
- Selection of template structures and building homology models using bioinformatics tools.
- Basics of molecular docking and its role in drug discovery.
- Exploring different docking algorithms and scoring functions.
- Principles of ligand-based drug design and virtual screening.
- Hands-on exercises on using molecular descriptors and similarity-based approaches.
- Introduction to protein-ligand docking techniques.
- Hands-on exercises on performing protein-ligand docking using software tools.
- Evaluation and interpretation of docking results.
- Visualizing and analyzing protein-ligand interactions.
- Concepts and techniques of structure-based drug design.
- Applying docking data to optimize protein-ligand interactions.
- Importance of model validation and evaluation in macromolecular modeling.
- Techniques for assessing the quality and reliability of models.
- Exploring advanced concepts in molecular docking, such as induced fit and scoring function optimization.
- Hands-on exercises on advanced docking techniques.
- Presenting real-world case studies showcasing the applications of insilico macromolecular modeling and docking.
- Discussion on the impact of computational methods in drug discovery and molecular design.
- Exploring emerging trends and future directions in insilico macromolecular modeling and docking.
- Discussion on the practical applications and potential challenges in the field.
Important Dates
Workshop Dates
Coming Soon
What You Will Gain
- Access to e-LMS
- Real Time Project for Dissertation
- Project Guidance
- Paper Publication Opportunity
- Self Assessment
- Final Examination
- e-Certification
- e-Marksheet
Outcomes
- Proficiency in molecular modeling software
- Understanding of molecular interaction principles
- Capability to design and execute docking simulations
- Insight into the drug design process
- Skills in data analysis and interpretation for biological systems
Who Should Attend
- Undergraduate or graduate degree in Biochemistry, Molecular Biology, Biophysics, or related fields.
- Professionals working in pharmaceuticals, biotechnology, or academic research.
- Individuals interested in computational biology, drug design, and molecular diagnostics.
Deliverables
- Access to e-LMS
- Real Time Project for Dissertation
- Project Guidance
- Paper Publication Opportunity
- Self Assessment
- Final Examination
- e-Certification
- e-Marksheet
Dr. Md Afroz Alam
Professor and Head
Speciality: Computational Drug Designer, Computational Biologist, Bioinformatics Scientist, Drug Discovery Researcher, Structural Bioinformatics Specialist
Dr Harishchander Anandaram is an Assistant Professor at Centre for Excellence in Computational Engineering and Networking, Amrita Vishwa Vidyapeetham, Coimbatore, Tamil Nadu, India. He received his Ph.D. Degree in Bioengineering from Sathyabama Institute of Science and Technology, Chennai, in 2020. In his PhD thesis, he worked on pharmacogenomics and miRNA- regulated networks in psoriasis, a joint project with Georgetown University, USA, JIPMER, INDIA, CIBA, INDIA, and ILS, INDIA. His thesis illustrated a multi-disciplinary approach by combining computational biophysics and molecular biology machine learning. Also, he had the opportunity to collaborate with international researchers and have publications in reputed international journals in bioinformatics and systems biology simultaneously. He has received the prestigious “Young Scientist Award” from “The Melinda Gates Foundation” for his research abstract on “The Implications of miRNA Dynamics in Infectious Diseases”. To date, he has reviewed more than 200 manuscripts in systems biology. He is currently working on predicting novel lead molecules and biomarkers using computational techniques to target inflammatory pathways associated with infectious and autoimmune disorders.