PL-PatchSurfer3: Improved Structure-Based Virtual Screening for Structure Variation Using 3D Zernike Descriptors
Utilizing local surface matching between the ligand and the receptor pocket, PL-PatchSurfer3 is a protein-ligand virtual screening technique. The complementarity of the patches is computed using the three-dimensional Zernike descriptor on this platform. A thorough explanation of the program can be found in the reference listed below.
Copyright (C) 2025 Woong-Hee Shin, Daisuke Kihara, and Purdue University.
License: GPL v3. (If you are interested in a different license, for example, for commercial use, please contact us.)
Source code and binary files are freely downloadable at the following links.
Source code
Binary files, scripts, and examples
Contact Information
If you have any questions or suggestions, please feel free to contact us (dkihara@purdue.edu).