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Figure 1 | BMC Genomics

Figure 1

From: FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection

Figure 1

Tools used in the development of FReDoWS. JAWE2.0-2 is for process design and definition. Shark1.1-2 performs process instantiation and control. FReDoWS interact with several software. The Ptraj module of AMBER6.0 generates PDB files from MD simulations. This is realized with C programs and shell scripts. Swiss-PdbViewer (SPDBV) is used to visualize and manipulate receptor and ligand structures and, finally, AutoDock3.0.5 is a suite of programs to execute automated molecular docking experiments.

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BMC Genomics

ISSN: 1471-2164

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