Welcome to IFPAnalysis

About IFPAnalysis

IFPAnalysis is a tool for protein−ligand interaction fingerprinting (IFP) analysis, which can consider the target-specific binding features and improve hit rates in virtual screening. In IFPAnalysis, the hydrogen-bond donors (D), hydrogen-bond acceptors (A), positive charges (P), negative charges (N), face-to-face π-π stacking (F), edge-to-face π-π stacking (E), hydrophobic interactions (H), and metal-ligand interactions (M) were defined. The similarity between query and reference IFPs were calculated to find similar binding modes for the query target.

IFPAnalysis is free for academic use, and please send user information (including PI name, institution, contact email, etc.) to to obtain password to unzip the password-protected IFPAnalysis.zip files.

We sincerely are open to receiving support and advice from academic and industrial communities to improve IFPAnalysis's usefulness, please email us: .

Cite IFPAnalysis

When using IFPAnalysis, we kindly ask you to cite the article:

Li, G.-B.; Abboud, M. I.; Brem, J.; Someya, H.; Lohans, C. T.; Yang, S.-Y.; Spencer, J.; Wareham, D. W.; McDonough, M. A.*; Schofield, C. J.* NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors. Chemical Science 2017, 8, 928-937. doi.org/10.1039/C6SC04524C.

Li, G.-B.*; Yu, Z.-J.; Liu, S.; Huang, L.-Y.; Yang, L.-L.; Lohans, C. T.; Yang, S.-Y. IFPTarget: a customized virtual target identification method based on protein–ligand interaction fingerprinting analyses. Journal of Chemical Information and Modeling 2017, 57, 1640-1651. doi.org/10.1021/acs.jcim.7b00225.

*To whom correspondence should be addressed.