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Pose & Rank - a web server for scoring protein-ligand complexes.

Docking example


  • IMP - Integrative Modeling Platform for comprehensive structural characterization of biomolecules. PoseScore and RankScore are implemented by the ligand_score application in IMP.
  • ModWeb - a server for protein structure modeling.
  • Gromacs - a versatile package to perform molecular dynamics, providing extremely high performance compared to all other programs.
  • PatchDock - a server for rigid-body protein-protein docking.
  • DOCK Blaster - a free service for running docking screens.
  • ZINC - a free database of commercially-available compounds for virtual screening, containing over 14 million purchasable compounds in 3D formats.
  • BLASTp - a free service for protein search.
  • PyMOL - a molecular visualization system on an open-source foundation.

Fan H, Schneidman-Duhovny D, Irwin J, Dong GQ, Shoichet B, Sali A. Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions. J Chem Inf Model. 2011, 51:3078-92. [ Abstract ]