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. Author manuscript; available in PMC: 2017 Aug 24.
Published in final edited form as: R J. 2017 May 10;9(1):164–186.

Figure 1.

Figure 1

Shows the overall workflow typically applied in molecular dynamics simulations beginning with a single PDB (Berman et al., 2000) structure as the input for the simulation and ending with the graphical representation of the data obtained. For large amounts of data, generating figures might become a tedious, highly repetitive task.