History & Development

June 20, 2026 — The screening performance of the molecular docking method in iORbase 2.0 was further analysed and explained. In the iDock module, users are now provided with an estimation of whether a docking result is likely positive, rather than merely a raw docking score. Concurrently, the Methodology section was supplemented with detailed instructions on threshold selection and the applicable scope of the docking approach, enhancing the reliability of virtual screening outcomes.

December 20, 2025 — iORbase 2.0 was released as a beta version. The less‑frequently used OdorSeek module from v1.0 was removed, while all other modules were retained and comprehensively upgraded. To fill gaps in the iOR analysis pipeline not covered in v1.0, v2.0 introduced two new modules:

• iGene – a gene annotation tool specifically for iORs.
• iMDanalysis – a platform for molecular dynamics simulation analysis.

The online docking module iDock was fully overhauled to support user‑uploaded iOR structures and small molecules for docking. The DockingSets module now presents statistical analyses of large‑scale docking data, offering reliable strategies for interpreting positive hits; the low‑usage docking structure display was removed. Additionally, a batch docking system setup tool was provided, enabling simple large‑scale virtual screening that is not restricted to individual iORs or odor molecules. iORbase 2.0 strives to cover the entire research workflow—from sequence annotation to structural modelling and functional analysis.

November 20, 2024 — A critical bug in the online molecular docking module was fixed. Previously, in some docking results, the ligand molecule would be placed outside the receptor pocket. This issue has been corrected, ensuring more reliable binding pose predictions.

June 10, 2024 — The iInteraction module of iORbase 1.0 was extended with a new online molecular docking module named iDock. In its initial version, iDock supported docking between iOR structures already deposited in the database and small molecules uploaded by users, returning docking scores and conformational poses.