Services & Courses

We provide expert-led training, project support, and innovative research solutions in CADD and Bioinformatics for students, researchers, and professionals.

Our Services

CompChem Hub specializes in CADD, Bioinformatics, and Capacity building services, empowering researchers and students to advance their drug discovery and computational sciences knowledge.

Computer Aided Drug Design (CADD)

Our CADD platform leverages advanced computational methods, including molecular modeling, molecular dynamics simulations, QSAR, DFT calculation, pharmacophore modeling and virtual screening to design and optimize small molecules. Our expert team utilizes a range of software and tools, to predict the efficacy and safety of potential lead compounds.

Bioinformatics

Our Bioinformatics service applies cutting-edge computational tools to analyze and interpret complex biological data, including phylogenetic analysis, bacterial/viral genomics, molecular modeling, and data mining. We specialize in immunoinformatics—predicting antigenic epitopes, analyzing immune responses, and designing vaccines—and gene silencing, where we identify RNA interference (RNAi) targets and design siRNA molecules. By integrating these advanced approaches, we uncover critical interactions between the immune system and disease, accelerating the discovery of novel diagnostics and therapeutics.

Capacity Building

Our capacity building programs are designed to enhance the skills, knowledge, and expertise of researchers, scientists, and professionals in the life sciences. Through workshops, training sessions, and mentorship opportunities, we provide individuals and groups to strengthen research capacity, improve scientific literacy, and enhance collaboration and innovation.

Learn. Apply. Excel.

Our Courses

Our courses are expertly designed for easy understanding, taught by professionals, and include hands-on practice to build confidence, deepen skills, and empower learners in CADD and Bioinformatics research.

Introduction to CADD & Bioinformatics

Free Virtual Training on Computer-Aided Drug Discovery (CADD), Suitable for all groups, whether you are a beginner or expert.

Molecular Docking Masterclass 1.0

 This course equips participants with practical skills to design, execute, and interpret docking studies confidently

💊 Pharmacodynamics & Pharmacokinetics Workshop

Understand how drugs interact with the body and predict their behavior using scientific models. 

Advance Course

Ligand Similarity Search, Ligand Modeling, and Ligand Library Generation

Advance Course

⁠Molecular docking masterclass 2.0 (Ligand-based drug design)

Advance Course

⁠Bioinformatics and genomic study of infectious disease (to include AMR gene study)

Projects Simplified with Expertise

Project Management

We provide expert guidance and handling of  CADD and bioinformatics projects, providing excellent research design, analysis, and publication-ready outcomes.

🧠 Introduction to Computer-Aided Drug Design
Computer-Aided Drug Design (CADD) empowers scientists to design and optimize drug candidates using computational methods. This course offers foundational knowledge, real-world examples, and an overview of major tools and applications in modern drug discovery.
📘 What to Expect
  • Introduction to Computer-Aided Drug Design
  • Drug Discovery Then and Now
  • Advantages of CADD
  • Successes of CADD
  • Aspects of CADD: Molecular Docking, Drug-Likeness, ADMET, QSAR, Molecular Mechanics, Molecular Dynamics
🎯 Course Benefits
Gain a solid foundation in CADD, understand its advantages, explore practical drug design concepts, and learn key techniques applied in pharmaceutical research and development.
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🧬 Molecular Docking Masterclass 1.0
Dive deep into molecular docking and its role in drug discovery. This course equips participants with practical skills using tools like AutoDock Vina and iGEMDOCK to design, execute, and interpret docking studies confidently.
📘 What to Expect
  • Introduction to Molecular Docking
  • Designing a Molecular Docking Study
  • Docking Algorithms: Induced-Fit, Rigid Body, and Flexible Docking
  • Ligand and Receptor Retrieval
  • Site Prediction using CastP
  • Hands-on: Docking with AutoDock Vina
  • Hands-on: Docking with iGEMDOCK
  • Molecular Interaction Visualization
  • Training Materials and Software Package
🎯 Course Benefits
Develop real-world skills in molecular docking, gain access to hands-on exercises, learn to visualize molecular interactions, and prepare for computational drug discovery research or academic projects.
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💊 Pharmacodynamics & Pharmacokinetics Workshop
This intensive workshop introduces the principles of pharmacodynamics and pharmacokinetics with practical insight into ADMET profiling. Participants explore modern web tools to predict drug behavior and optimize compound selection effectively.
📘 What to Expect
  • Introduction to Pharmacodynamics and Pharmacokinetics
  • Basic Descriptors of Pharmacodynamics and Pharmacokinetics
  • Predicting ADMET Properties of Drug-like Compounds
  • Webserver Tools and Their Scoring Functions
🎯 Course Benefits
Understand drug action and behavior, explore ADMET prediction, and become proficient with online tools essential for pharmaceutical profiling and research-based compound filtering.
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