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One month Project with Manuscript Submission

Pharmacophore Screening, Molecular Docking, and Molecular Dynamics Simulation

Starting 25th August onwards

Image by ANIRUDH
Image by ANIRUDH

Objective

This project aims to conduct comprehensive research encompassing pharmacophore screening, molecular docking, and molecular dynamics (MD) simulation, with the goal of publishing the results in a reputed scientific journal. Additionally, the project includes hands-on training in the key areas of pharmacophore modeling, docking, MD simulations, Python programming, and manuscript preparation for scientific publication.

Training Modules

Pharmacophore Modeling and Screening

    • Fundamentals of pharmacophore generation.

    • Techniques for pharmacophore validation.

    • Practical sessions using pharmacophore screening software.

  1. Molecular Docking

    • Introduction to molecular docking theory.

    • Step-by-step guide to preparing and executing docking studies.

    • Hands-on practice with docking software tools.

  2. Molecular Dynamics Simulation

    • Basics of molecular dynamics simulation.

    • Setting up and running MD simulations.

    • Data analysis and interpretation techniques.

  3. Python Programming

    • Introduction to Python for computational chemistry.

    • Scripting for data analysis and automation in docking and MD simulations.

  4. Manuscript Writing and Formatting

    • Structure of a scientific manuscript.

    • Writing techniques for each section of the manuscript (Introduction, Methods, Results, Discussion).

    • Formatting guidelines for reputed journals.

    • Tips for clear and effective scientific writing.

Image by National Cancer Institute

Outcomes and Deliverables

1

Expected Outcomes

Research Outcomes:

    • Identification of potential drug candidates through pharmacophore screening and molecular docking.

    • Detailed understanding of the dynamics and stability of ligand-protein interactions from MD simulations.

    • Generation of data suitable for publication in reputed journals.

  • Training Outcomes:

    • Enhanced technical skills in pharmacophore screening, molecular docking, and MD simulations.

    • Proficiency in Python programming for computational tasks in drug discovery.

    • Improved capability to write and format scientific manuscripts for publication.

2

Project Deliverables

  • Comprehensive report detailing the findings from pharmacophore screening, docking studies, and MD simulations.

  • Training materials and resources for participants.

  • Draft manuscript prepared according to the guidelines of a targeted scientific journal.

Course Fees

You can register for this course at 30,000 INR or 350 USD

Part payment is available. There will be two installments of 15,000 INR or 175 USD. First installment will be paid while registering for the course. The second installment should be paid by 18th September 2024. 

For any queries, you can drop an email to support@discoveryboulevard.com

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