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In Silico Molecular Modeling and Docking in Drug Development
Transforming Drug Discovery with Computational Precision
Online/ e-LMS
Self Paced
Moderate
1 Month
About
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 program 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 one-month program, 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 program, 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.
Aim
The program 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.
Program Objectives
- 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.
Program Structure
Module 1: Preparation of Protein Structure
Preparation of compound library
- Generating the 2D structure
- Generating the 3D structure
Energy and molecular properties calculation
- Force field and Energy minimization
- Properties based on Quantum Mechanics
Tools:
- ISIS Draw/ChemSketch
- Argus Lab
- Mopac
Module 2: Protein active site prediction
Overview of Protein and their interaction with ligand
- Overview of protein 3D structure file format
- Overview of small molecule databases
Protein Active site
- Protein Active site Properties
- Protein active site prediction
Tools:
- Protein Data Bank (PDB)/PDBSum
- PubChem/Drug Bank/Zinc Database
- Active site prediction tool
Module 3: Comparative modeling/homology modeling
- Protein 3D structure Prediction based on homology
- Ab initio structure prediction
Tools: Modeller & Online Tools for Ab initio structure prediction
Module 4: Structure Validation
- Protein Structure validation
- Ramachandran plot
Tools: SAVES server
Module 5: Docking and Interaction studies
- Structure Based Drug Design (SBDD)
- Ligand Based Drug Design (LBDD)
Tools: PyRx & ArgusLab
Participant’s Eligibility
- 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.
Program Outcomes
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.
Fee Structure
Standard Fee: INR 4,998 USD 110
Discounted Fee: INR 2499 USD 55
We are excited to announce that we now accept payments in over 20 global currencies, in addition to USD. Check out our list to see if your preferred currency is supported. Enjoy the convenience and flexibility of paying in your local currency!
List of CurrenciesBatches
Certificate
Program Assessment
Certification to this program will be based on the evaluation of following assignment (s)/ examinations:
| Exam | Weightage |
|---|---|
| Mid Term Assignments | 50 % |
| Project Report Submission (Includes Mandatory Paper Publication) | 50 % |
To study the printed/online course material, submit and clear, the mid term assignments, project work/research study (in completion of project work/research study, a final report must be submitted) and the online examination, you are allotted a 1-month period. You will be awarded a certificate, only after successful completion/ and clearance of all the aforesaid assignment(s) and examinations.
Program Deliverables
- Access to e-LMS
- Real Time Project for Dissertation
- Project Guidance
- Paper Publication Opportunity
- Self Assessment
- Final Examination
- e-Certification
- e-Marksheet
Future Career Prospects
- Computational Chemist
- Drug Design Scientist
- Molecular Modeler
- Pharmacologist
- Research Scientist in Pharmaceutical Companies
- Bioinformatics Specialist
Current Participants* Analytics
Country
Profession
Affiliation
Note: The information shown in the above-mentioned analytics is live and may include information that is not completely correct like spelling mistakes, grammatical mistakes , factual errors or even mis representation as this is what participants have entered, the information is currently not edited and or filtered , but at later stages they will be filtered to provide true data representation.
Enter the Hall of Fame!
Take your research to the next level!
Achieve excellence and solidify your reputation among the elite!
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informative lecture
Great knowledge and commitment to the topic.
