Flexible CDOCKER: Development and application of a pseudo-explicit structure-based docking method within CHARMM.Protein-ligand docking is a commonly used method for lead identification and refinement.  To this end, we have developed the Flexible CDOCKER method as an extension of the family of complete docking solutions available within CHARMM.  Presented here are developments to the CHARMM docking methodology to incorporate receptor flexibility and improvements to the sampling protocol as demonstrated with re-docking trials on a subset of the CCDC/Astex set. 
CHARMM
Flexible CDOCKER: Development and application of a pseudo-explicit structure-based docking method within CHARMM.Protein-ligand docking is a commonly used method for lead identification and refinement.  To this end, we have developed the Flexible CDOCKER method as an extension of the family of complete docking solutions available within CHARMM.  These developments within CDOCKER achieve docking accuracy competitive with or exceeding the performance of other widely utilized docking programs.
CDOCKER