Basic Training on Structure Based Drug Design, 11-13 July, 2021

Important Note
 Only 15 trainees will be allowed, and those who are interested in participating in a post-training project will be given priority.
 Fill out the Google form ( and let us know you are interested.
 We will look over your Google form and call or email you to let you know if you have been accepted (with a payment method).
 Finally, after receiving confirmation, pay the registration fee of 3600Tk.

Contents we will cover in this training (11-13 July 2021).

1. Basic concept: Lecture on the Basic concept of Computer-Aided Drug Design and discovery. Concept of traditional vs rational drug design.

2. Virtual Ligand Preparation: Chemical structure drawing by ChemDraw 16.0 software, structure & structure related data mining from ChemDraw & different database.

3. Ligand Optimization: Lecture on Quantum Mechanics in Drug Design, DFT Theory, HF theory, Basis Set. Ligand optimization by Gaussian software and optimized data analysis.

4. Ligand drug ability prediction: Molecular properties analysis, ADME analysis, drug likeliness test, toxicity and target prediction by different webserver and tools. Library building for virtual screening.

5. Homology Modeling: Introduction on different protein database i.e., Uniprot & PDB. Homology modelling execution by Easy modeller 4.0 and online webserver. Model refinement, validation, and analysis.

6. Protein selection & preparation: Introduction to Protein, different Structures of Proteins, DNA & RNA. Discussion on target protein selection based on a disease. Protein selection for molecular docking, cleaning, and optimization & energy minimization by different tools.

7. Molecular docking: Basic concept of molecular docking, types of docking, different renowned paid & free tools for molecular docking. Ligand preparation, protein preparation, grid generation & execution. Non-bond interaction analysis to know active amino acids & their bond distance.

8. Molecular dynamic simulation: Introduction to MD simulation & different software used for MD simulation. Discussion on different features of MD simulation.

9. Manuscript preparation: Discussion on manuscript preparation i.e., Types of articles, Skeleton building, tips for writing different section of article, figure & table preparation. Discussion on manuscript submission & revision I.e., Journal selection, pre-submission checklist, cover letter, graphical abstract preparation & rebuttal letter preparation.

10. Closing session: Discussion on research facility at BCSIR Laboratories Chattogram and student applying procedure. Discussion on higher study preparation.

Your registration fee will cover-

  • 3 days long physical hands-on training.
  • 15+ software installation on your laptop.
  • A unique identifier (ID) for the trainees. We keep and publish all trainee lists on our website (, which you may access using this ID and use as proof of attendance in this training.
  • After the training, a printed copy of the certificate will be issued, and an online copy will be published on our website, which may be accessed & downloaded at any time by trainee ID.
  • Lunch, as well as tea and snack, will be provided.

PC Requirements, OS: Windows 7-10, Processor: 64-bit (x64 based) i3 – later. Please bring your mouse and laptop charger along with you.

Notice: We have already received a large number of applications, and after examining them, an acceptance email will be delivered on June 28th.