NEQUIM Contact System (NCS) is a system to generate and analyze interaction vectors of protein-ligand complexes. Core features include multiple views of vectors, multiple selection options, cluster analysis and generation of interaction vector model. The input could be from PDB format or from files generated by automatic docking softwares AutoDock/Vina or Surflex.

Project Samples

(NCS) NEQUIM Contact System Screenshot 1 Main window NCS Interface Binary Encoding Echeme for LPC Contact Engine Engine Fingerprints generated from vina output with NCS-LPC. Graphical representation generated with NCS-Plot Fingerprints generated from vina output with NCS-LPC. Graphical representation of expanded view generated with NCS-Plot

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