The Tropical Biopharmaca Research Center (TropBRC) LRI-PGK IPB University, organized an online Basic Molecular Docking Workshop on Friday–Saturday, February 13–14, 2026. Held via Zoom Meeting, the two-day intensive training program was specifically designed for participants seeking to master molecular docking techniques from fundamental concepts to practical applications. Through a fully hands-on approach, the workshop enabled researchers to gain both theoretical insights and direct experience in molecular computation.
To ensure technical readiness, TropBRC conducted two Pre-Workshop sessions dedicated to guiding participants through software installation and system configuration prior to the main event. The workshop formally opened with remarks from the Director of TropBRC, Prof. Dr. Mohamad Rafi, S.Si., M.Si., who highlighted the vital role of computational molecular methods in modern scientific research. He emphasized that mastering virtual screening and docking techniques is essential for accelerating bioactive compound discovery and advancing natural product-based drug development.
Key Highlights of the Basic Molecular Docking Workshop
The training featured two expert speakers in molecular computation and virtual screening: Dr. Setyanto Tri Wahyudi, S.Si., M.Si., representing TropBRC LRI-PGK IPB University and the Department of Physics, Faculty of Mathematics and Natural Sciences (FMIPA), IPB University; and Dr. Luthfan Irfana, S.Si., M.Si., from the Department of Chemistry FMIPA IPB University. Together, they delivered a structured, progressive curriculum tailored for beginners. Core topics covered GUI-based regular docking using AutoDock Vina, protein structure handling, an introduction to ensemble docking, ligand structure preparation, docking result analysis, ligand screening using DataWarrior, and project-based discussions on practical molecular docking applications.
During the practical sessions, 24 participants from various academic and research institutions utilized an array of computational tools, including PyMOL, AutoDock Vina 1.2.3, MGLTools 1.5.7, OpenBabel 2.4.1, Git Bash, LigPlot, and DataWarrior. Through this intensive Basic Molecular Docking Workshop, participants navigated the complete computational workflow—from raw data preparation to precise result interpretation.
Participants expressed highly positive feedback, praising the detailed presentation of material, interactive discussion sessions, and responsive support from both speakers and the organizing staff. Furthermore, access to follow-up mentoring significantly supported the learning process, making complex computational concepts approachable and directly applicable to scientific publication and research needs. Through this initiative, TropBRC reaffirms its commitment to strengthening human resource capacity in biopharmaca research through practical, technology-driven training aligned with global scientific developments.
✍️ Author & Editor: Titis Arifiana
📸 Documentation:Team Workshop TropBRC