Structural models can be aligned at their ligand-binding sites using weighted-exponential term

Summary

** (1) aligned models for benchmarking ligand binding by DiffDock using a weighted exponential with a distance to the ligand.**

1.

Corso G, Stark H, Jing B, Barzilay R, Jaakkola TS. DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking. In: ICLR 2023. 2023. Available from: https://openreview.net/forum?id=kKF8_K-mBbS