[Application] Blind Docking

[zhengh96]

We have recently received several requests for blind docking, which is primarily used for reverse target identification.

Considering that Uni-Dock does not inherently support blind docking, I suggest constructing an application by utilizing several open source softwares to build a workflow (application) for this requirement.

For instance, we could initially employ target identification tools (such as fpocket) to locate potential binding sites on the given protein, then dock the small molecules into these sites.

To avoid complicating the usage of this method by integrating too many features, I suggest that we start with the assumption of using a "prepared receptor" as the startpoint (input).