Could you please elaborate more on the biased docking? Specifically, I am interested in understanding how one can set a hydrogen bond bias, as exemplified in the manuscript's case study on tankyrase2.
The inclusion of a practical example would be incredibly helpful. Thanks.
Hi Uni-Dock team.
I am intrigued by the biased docking methodology described in the original manuscript. However, I find only one simple usage in the README.
https://github.com/dptech-corp/Uni-Dock/blob/7c0cda06c94fc802194c55e7cec0cef1f834c31a/unidock_tools/README.md?plain=1#L51-L53
Could you please elaborate more on the biased docking? Specifically, I am interested in understanding how one can set a hydrogen bond bias, as exemplified in the manuscript's case study on tankyrase2.
The inclusion of a practical example would be incredibly helpful. Thanks.