The Tropical Biopharmaca Research Center (TropBRC), IPB University, organized a Basic Molecular Docking Workshop over two days, Friday–Saturday, February 13–14, 2026, conducted online via Zoom Meeting. The workshop was specifically designed for participants who aimed to understand and practice molecular docking techniques from the fundamental level through a hands-on and fully practical approach. This method enabled participants to gain not only theoretical knowledge but also direct experience in molecular computation.
The workshop was attended by 24 participants from various educational institutions and academic backgrounds. Prior to the main workshop sessions, TropBRC conducted two Pre-Workshop sessions intended to ensure participants’ technical readiness, including software installation and configuration required for the training.
The program was officially opened by the Head of TropBRC, Prof. Dr. Mohamad Rafi, S.Si., M.Si., who emphasized the importance of mastering computational molecular methods in supporting modern research, particularly in bioactive compound discovery and natural product-based drug development.
The workshop featured two experienced speakers in molecular computation and virtual screening: Dr. Setyanto Tri Wahyudi, S.Si., M.Si. (TropBRC LRI-PGK IPB University and the Department of Physics, Faculty of Mathematics and Natural Sciences, IPB University) and Dr. Luthfan Irfana, S.Si., M.Si. (Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University).
Training materials were structured systematically and progressively to ensure accessibility for beginners. Topics included GUI-based regular docking using AutoDock Vina, protein structure handling, introduction to ensemble docking, ligand structure preparation, docking result analysis, ligand screening using DataWarrior, and project-based discussion on molecular docking applications.
During the practical sessions, participants utilized several molecular computation software tools, including PyMOL, AutoDock Vina 1.2.3, MGLTools 1.5.7, OpenBabel 2.4.1, Git Bash, LigPlot, and DataWarrior. The intensive practical approach allowed participants to comprehensively understand the molecular docking workflow, from data preparation to result interpretation.
The workshop received highly positive feedback from participants. Responses highlighted clear and detailed material delivery, responsive support from speakers and organizing staff, interactive discussions, and the availability of follow-up mentoring, which significantly supported the learning process. Participants also noted that the materials were easy to understand and highly relevant to research and scientific publication needs.
Through this activity, TropBRC reaffirmed its commitment to strengthening human resource capacity in biopharmaca research through practical training based on modern computational technologies that are applicable, adaptive, and aligned with global scientific developments.
✍️ Author & Editor: Titis Arifiana
📸 Documentation: Team Workshop TropBRC