PharmDock is a program that generates structured based pharmacophores, performs docking and estimates the binding free energy. The article explains how the different phases of PharmDock were implemented. It mentions the algorithms and functions used to create pharmacophores, the sampling of the ligands and docking.
Part of PharmDock was built on python and it uses PyMol to visualize molecules.
Hu, Bingjie, and Markus A Lill. “PharmDock: A Pharmacophore-Based Docking Program.” Journal of Cheminformatics 6, no. 1 (2014): 14.
PharmDock is a program that generates structured based pharmacophores, performs docking and estimates the binding free energy. The article explains how the different phases of PharmDock were implemented. It mentions the algorithms and functions used to create pharmacophores, the sampling of the ligands and docking.
Part of PharmDock was built on python and it uses PyMol to visualize molecules.