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Summer School 2026
Sep 1-11, 2026
Welcome
Welcome
Summer School 2026 for Computer-Aided Drug Design & Bioinformatics
Date: 1-11 September 2026
Venue: Faculty of Pharmacy, Universiti Teknologi MARA, Puncak Alam Campus. Selangor. MALAYSIA
The Summer School on Computer-Aided Drug Design (CADD) and Bioinformatics is organized by the Faculty of Pharmacy, Universiti Teknologi MARA.
This two-week intensive workshop is designed for postgraduate students and junior researchers who wish to acquire essential skills in CADD and Bioinformatics. The program covers key topics including molecular dynamics simulations, molecular docking, protein modeling, network pharmacology and R programming.
By participating in this program, participants will gain a solid understanding of the theoretical foundations behind these methodologies, develop hands-on experience in applying them, and build the confidence to conduct independent research.
SPEAKERS
SPEAKERS
Prof Habibah A Wahab
Universiti Sains Malaysia
AP Saharudin Mohamad
Universiti Malaya
Dr Firdaus Samsudin
Bioinformatics Institute, A*Star, Singapore
Dr Shirley Siu
Macau Polytechnique University
Prof Vannajan S Lee
Universiti Malaya
Dr Siti Azma Jusoh
Universiti Teknologi MARA
Dr Lam Su Datt
Universiti Kebangsaan Malaysia
Dr Ezatul Ezleen Kamarulzaman
Universiti Sains Malaysia
Dr Fatahiya M Tap
Universiti Teknologi MARA
Dr Zafirah Liyana Abdullah
Universiti Teknologi MARA
Dr Siti Aisyah Razali
Universiti Malaysia Terengganu
Dr Ruzianisra Mohamad
Universiti Teknologi MARA
AP Yuslina Zakaria
Universiti Teknologi MARA
Nor Jannah Yob
Universiti Teknologi MARA
Dr 'Ainun Mokhtar
Universiti Teknologi MARA
PROGRAM DETAILS
PROGRAM DETAILS
Week 1 Modules
Week 1 Modules
Day 1 Module 1 - Introduction to Computer-Aided Drug Design
Lecture: Computational Drug Discovery - Current and Future, Speaker: Prof. Dr Habibah Wahab (USM)
Hands-on: CADD databases (PDB, PubChem, ChemBL), PyMOL (biomolecule visualization and figure preparation, structure superimposition, mutagenesis), Protein-Ligand Interaction Tools
Trainer: Dr Zafirah Liyana Abdullah, Dr Ruzianisra Mohamed
Day 2 Module 2 - Protein Structure
Lecture: AI in Structural Biology - AlphaFold Tools for Life Sciences Experiments
Speaker: Dr Lam Su Datt (UKM)
Hands-on: Sequence Alignment Tools: BLAST, Clustal Omega; Protein Modeling Tools: SWISS-MODEL, AlphaFold, Protein Model Structure Validation
Trainers: Dr Ruzianisra Mohamed, Dr Zafirah Liyana Abdullah
Day 3 Module 3 - Molecular Docking
Lecture 1: Molecular Docking Theory - Case Study of Molecular Docking for Protein-Small Molecule.
Speaker: Dr Siti Aisyah Razali (UMT)
Hands-on: Molecular docking workflow, Protein and Ligand Preparation, Protein-Small Molecule Docking, Protein-Peptide Docking, Docking Analyses for Publications.
Speaker/Trainer: Dr Ezatul Ezleen Kamaruzaman, Dr Siti Azma Jusoh, Dr 'Ainun Mokhtar, Ms Norul Amalina Sabri
Day 4 Module 4 - Network Pharmacology
Lecture: Implementing Network Pharmacology, Molecular Docking and In Vitro/In Vivo Methods in Pharmaceutical Studies
Speaker: Dr Fatahiya Md Tap
Hands-on: System biology concepts, targets identification, network builder, GO & KEGG pathways
Trainer: Mdm Noor Jannah Yob, Dr Fatahiya Md Tap, Mr Ahmad Merza Mohd Nasir
Week 2 Modules
Week 2 Modules
Day 5 -6 (Parallel Session) Module 5 - Data Science using R (2-days)
Lecture: Introdcution to R for Data Science - Case Studies
Speaker: Assoc Prof Dr Yuslina Zakaria
Hands-on: R programming in RStudio, data import and export, data wrangling with Tidyverse , visualization using ggplot2, descriptive statistics, and inferential statistics for biomedical data.
Trainers: AP Dr. Yuslina Zakaria, Dr Ruzianisra Mohamad, Dr Zafirah Liyana Abdullah, Mdm Noor Jannah Yob
Day 5 (Parallel Sesion) Module 6 - Introduction to Molecular Dynamics (MD) Simulations
Lecture: Theory and Implementation of Molecular Dynamics Simulations - Case Study for Soluble Protein-Drug
Speaker: Assoc. Prof. Dr. Saharudin Mohamad
Hands-on: Linux Installation, Common Bash Command Lines, GROMACS Installation, Apo-Protein in Water Tutorial
Trainers: Dr Siti Azma Jusoh, Dr Fatahiya Md Tap, Mr Ahmad Merza Mohd Nasir, Ms Nur Alya Amirah Azhar
Day 6 Module 7 - MD for Protein-Ligand in Water System
Lecture:
Speaker: Prof Vannajan Sanghiran Lee
Hands-on: Protein-Ligand Docking Input Preparation, Ligand Protonation , Soluble Protein- Ligand Complex in Water Tutorial, MD Protein-Protein/Peptide Tutorial
Trainers: Dr Siti Azma Jusoh, Dr Fatahiya Md Tap, Ahmad Merza Mohd Nasir, Nur Alya Amirah Azhar
Day 7 Module 8 - Molecular Dynamics Analyses
Lecture: Interactions of Small Molecules with Membrane Lipid Biayers - A case study of Kratom Alkaloids
Speaker: Dr Siti Azma Jusoh
Hands-on: MD Analyses using XMGRACE, GNU Plot - RMSD, RMSF, Rg, HBonds/Hydrophobic Interactions, MMPBSA Analyses.
Trainers: AP Dr Shirley Siu, Dr Siti Azma Jusoh, Dr Fatahiya Md Tap, Ahmad Merza Mohd Nasir, Nur Alya Amirah Azhar
Day 8 Module 9 - MD for Membrane Proteins
Lecture: Membrane Proteins in Lipid Bilayer - A Case Study
Speaker: Assoc. Prof. Dr Shirley S.W (Macau Polytechnique Institute)
Hands-on: Protein Structure Input Builder using CHARM-GUI, GROMACS Tutorials: Membrane Protein -Ligand Complex in Membrane Lipid Tutorial, Lipid Analyses.
Trainers: AP Dr Shirley Siu, Dr Siti Azma Jusoh, Dr Fatahiya Md Tap, Ms Amalina, Nur Alya Amirah
Day 9 Module 10 - Coarse-Grained Molecular Dynamics Simulation (CGMD)
Lecture: TBA
Speaker: Dr Firdaus Samsudin, A*Star Institute , Singapore
Hands-on: TBA
Trainers: Dr Siti Azma Jusoh, Amalina, Nur Alya Amirah, Ahmad Merza Mohd Nasir
PROGRAM FEES
PROGRAM FEES
Package 1
Package 1
Day 1, 2 and 3
Modules: Introduction to Computer-Aided Drug Design (CADD), Protein Structure, Molecular Docking & Network Pharmacology
RM1,300.00
Package 3
Package 3
Day 5 to 9 (5 Days)
Modules: Molecular Dynamics Simulations for Protein-Ligand and Protein-Peptide/Protein in Water
RM2,500.00
Package 5
Package 5
Day 8 (1 Day)
Coarse-Grained Molecular Dynamics Simulation (CGMD)
RM500.00
Package 7
Package 7
Day 8 and 9 (2 Days)
CGMD and MD for Lipid Bilayer
RM800.00
Package 2
Package 2
Day 3 and 4 (2 Days)
Modules: Molecular Docking & Network Pharmacology
RM800.00
Package 4
Package 4
Day 5 and 6 (2 Days) - Parallel Workshop
Modules: Data Science using R
RM800.00
Package 6 (Day 9)
Package 6 (Day 9)
Day 9 (1 Day)
Molecular Dynamics Simulations for Protein/Compouds in Lipid Bilayer
RM500.00
Package 8
Package 8
CADD Complete Package
All modules (EXCEPT R programming)
RM3,500.00
REGISTRATION
REGISTRATION
Registration Steps
Registration Steps
Fill in registration form here: UiTM Summer School
Receive a confirmation email and invoice from the secretariat.
Participants proceed for confirmation and payment.
Email us the proof of payment: summerschooluitm2026@gmail.com
Payment Info
Payment Info
Beneficiary's name : UNIVERSITI TEKNOLOGI MARA
Beneficiary's Address :
Pejabat Bendahari, Aras 2 Bangunan FF1, UiTM Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor Darul Ehsan, Malaysia
Payment Reference: SummerSchoolUiTM
Account number or IBAN : 12168010003457
Name of bank : Bank Islam Malaysia Berhad (BIMB)
Bank code (SWIFT CODE) : BIMBMYKL
Bank Address:
No 1, Jalan Elektron Eu16/E, Seksyen U16, Denai Alam, 40160 Shah Alam, Selangor
ACCOMMODATION
ACCOMMODATION
List of hotels near UiTM Puncak Alam Campus
Hotel Mirda - https://www.booking.com/Share-hn5KiNI
Enrich Hotel - https://www.trip.com/w/KKUHe9jGIU2
Zone Hotel - https://www.trip.com/w/tthsABkGIU2
PARTNERS
PARTNERS
ORGANIZER
ORGANIZER
Organizing Committees
Organizing Committees
Program Advisor
Dean, Faculty of Pharmacy
Program Chair
Dr. Siti Azma Jusoh
Program Director
Dr. Zafirah Liyana Abdullah
Secretary
Dr. Ruzianisra Mohamed
Treasurer
Mdm Noor Jannah Yob
Organizing Committees
Module Development:
Dr. Siti Azma Jusoh
Assoc. Prof. Dr. Yuslina Zakaria
Mdm Noor Jannah Yob
Dr. Zafirah Liyana Abdullah
Dr. Ruzianisra Mohamed
Registration:
Dr. Nurfarhana Ferdaos
Mr. Syarifuddin Husain
Publicity & Promotion:
Dr. Fatahiya Mohd Tap
Dr. Nur 'Ainun Mokhtar
Dr. Nursyuhada Azzman
Logistic & Technical Support:
Mr. M Hafizie Dianael M Tazizi
Mr. Ahmad Merza M Nasir
Food & Hospitality:
Mdm. Massita Nordin
Ms. Nur Alya Amirah Azhar
Trainers & Facilitators:
Dr. Siti Azma Jusoh
Assoc. Prof. Dr Shirley Siu
Assoc. Prof. Dr. Yuslina Zakaria
Dr. Ruzianisra Mohamed
Mdm. Noor Jannah Yob
Dr. Zafirah Liyana Abdullah
Dr. Siti Aisyah Razali
Dr. Fatahiya Mohamed Tap
Dr. Nur 'Ainun Mokhtar
Ms. Norul Amalina Sabri
Ms. Nur Alya Amirah Azhar
Mr. Syarifuddin Husain
Mr. Ahmad Merza M Nasir
Organized by:
Structural Bioinformatics & Molecular Modeling LabLevel 8-FF2 Building, Faculty of PharmacyUniversiti Teknologi MARAOrganized by:
Kampus Puncak Alam
42300 Bandar Puncak Alam. Selangor.
📥 Email: summerschooluitm2026@gmail.com
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