
Theme: AI-Powered Drug Discovery: Opportunities, Challenges and Future
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Orgraniser:School of Pharmaceutical Sciences, Universiti Sains Malaysia
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Co-organiser:Farmasi UNPAD, Universitas Padjadjaran IndonesiaMasyarakat Bioinformatika Dan Biodiversitas Indonesia (MABBI)
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Date:17 - 18 June 2025
Workshop on pharmacophore docking, Molecular Dynamics Simulation and Coarse Grained MD Simulation19 June 2025
Seminar
Speakers

Prof. Dr. Habibah A. Wahab, FASc.

Prof. Dr. apt. Muchtaridi, PhD.

Prof. Muhammad Aswad, S.Si., M.Si., Ph.D., Apt.

Prof. Dr. Eng. Wisnu Ananta Kusuma, ST., MT.

Prof. Dr. Vannajan Sanghiran Lee

Prof. apt. Rr. Retno Widyowati, S.Si.,M.Pharm.,Ph.D

Assoc. Prof. Dr. Shirley Siu

Assoc. Prof. Dr. Muhammad Yusuf Setiabudi

Assoc. Prof. Dr. Bimo Ario Tejo

Dr. Siti Azma Jusoh

Dr. Firdaus Samsudin

Dr. Yap Beow Keat
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Registration Fee:
Seminar Workshop Seminar & Workshop Physical Online Physical only Physical only International Participant USD 120 USD 60 USD 200 USD 280 Local Participant MYR 500 MYR 250 MYR 800 MYR 1100 -
Important Dates:
Registration Deadline 8 June 2025 Abstract Submission Deadline 6 June 2025 1 June 2025
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Payment MethodsAccount Name: Usains Holding Sdn. Bhd.Name of Bank: AmBank (M) BerhadBank Address: Ground Floor, Bangunan Ambank Group, No. 55 Jalan Raja Chulan, 50200 Wilayah Persekutuan, Kuala Lumpur.Account Number: 888 – 100 – 985 – 0380Swift Code: ARBKMYKL
Publication
Abstract proceedings for oral presenters are planned for publication. Publication may be subject to delay should there be a limited number of submissions and extensive compilation time. Presenters are encouraged to submit full papers to the Malaysian Journal of Pharmaceutical Sciences (MJPS) (MyCite) or Malaysian Journal of Medical Sciences (MJMS) (Scopus) Reviewer nominations for submitted manuscripts are welcome.
Information for Oral and Poster Presenters
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Poster Presentation
- Poster size: A1 (portrait orientation).
- Posters must be mounted by 8:30 AM on June 19, 2025, at the designated display area.
- Presenters are responsible for setting up and removing their posters. Mounting materials will be provided at the venue.
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Oral Presentation
- Each oral presentation is allocated 8 minutes for the talk, followed by 2 minutes for Q&A.
- Please ensure your presentation file is in .pptx or PDF format.
- All oral presenters are required to email their presentation file to the Secretariat (caddmedchem@gmail.com) by 8:00 PM on June 18, 2025.
- Presenters are advised to test their presentation files with the Technical Team at least 15 minutes before the event opens in the morning.
- Presenters who wish to use their own laptop must ensure it is equipped with an HDMI port.
Programme
Workshop (Day 1 & 2 - 17th & 18th June 2025)
Day |
Day 1 (17th June 2025) |
Day 2 (18th June 2025) |
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0815 – 0840 |
Registration |
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0840 – 0845 |
Welcome Remark |
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0845 – 0945 |
Introduction to CADD |
Principle of Ensemble Docking |
Principle of Coarse-Grained Molecular Dynamics Simulation |
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0945 – 1000 |
TEA BREAK |
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Parallel Session |
Parallel Session |
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1000 – 1100 |
Principles of pharmacophore and molecular docking |
Principle of classical atomic Molecular Dynamics Simulation |
Small molecule virtual screening using Mol-Moda |
Case Study: Coarse-Grained MD Simulations |
1100 - 1300 |
Hands-on: Pharmacophore Docking (Setting up) |
Hands-on: Classical atomic MD Simulations (Setting up, equilibration, production) |
Hands-on: Mol-Moda Docking (Setting up) |
Hands-on: Coarse-grained MD simulations (Setting-up, equilibration, production) |
1300 – 1400 |
LUNCH BREAK |
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1400 – 1600 |
Hands-on: Pharmacophore Docking (Analysis) |
Hands-on: Classical atomic MD Simulations (Analysis) |
Hands-on: Mol-Moda Docking (Analysis) |
Hands-on: Coarse-grained MD simulations (Analysis) |
1600 - 1700 |
Case Study, Discussion and Reflection |
Case Study, Discussion and Reflection |
Reflection and Closing Remark |
Seminar (Day 3 - 19th June 2025)
Seminar – Thursday, 19th June 2025 |
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0830-0845 |
Registration |
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0845-0900 |
Welcome remark |
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0900-0930 |
Keynote 1 |
Assoc. Prof. Dr. Bimo Ario Tejo |
0930 -1000 |
Keynote 2 |
Dr. Yap Beow Keat |
1000-1030 |
Keynote 3 |
Assoc. Prof. Dr. Muhammad Yusuf Setiabudi |
1030-1050 |
TEA BREAK |
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1050-1105 |
Invited 1 |
Prof. Muhammad Aswad, S.Si., M.Si., Ph.D., Apt. |
1105-1120 |
Invited 2 |
Dr Siti Azma Jusoh |
1120-1135 |
Invited 3 |
Prof. Dr. Eng. Wisnu Ananta Kusuma, ST., MT. |
1135-1150 |
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Q&A |
1150-1300 |
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Oral presentation |
1300-1400 |
LUNCH |
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1400-1415 |
Invited 4 |
Prof. Dr. Vannajan Shaghiran Lee |
1415-1430 |
Invited 5 |
Prof. apt. Rr. Retno Widyowati, S.Si.,M.Pharm.,Ph.D |
1430-1445 |
Invited 6 |
Assoc. Prof. Dr. Shirley Siu |
1445-1500 |
Invited 7 |
Dr. Firdaus Samsudin |
1500-1515 |
Invited 8 |
Assoc. Prof. Dr. Choi Sy Bing |
1515-1530 |
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Q&A |
SPECIAL SLOT - IN MEMORY OF DR MAYWAN HARIONO |
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1530-1535 |
Video presentation |
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1535-1605 |
Keynote 4 |
Prof. Dr. apt. Muchtaridi, PhD. |
1605-1640 |
Keynote 5 |
Prof. Dr. Habibah A Wahab, FASc. |
1640-1700 |
Closing ceremony |
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1700-1800 |
Durian Feast and Sunset Views at Queensbay Waterfront |