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.
Binary executible files, running python scripts, and example can be freely downloadable at the following link.
PL-PatchSurfer3
Contact Information
If you have any questions or suggestions, please feel free to contact us (dkihara@purdue.edu).