Skip to main content
. Author manuscript; available in PMC: 2022 Feb 24.
Published in final edited form as: Chem Rev. 2021 Jan 11;121(4):2292–2324. doi: 10.1021/acs.chemrev.0c01087

Figure 23.

Figure 23.

Eighteen RGD-related cyclic pentapeptides were simulated using REMD simulation.370 D-amino acids are listed in lowercase and shown in red; N-methylated amino acids are underlined and shown in blue; artificial amino acids are shown in green. All cyclic peptides formed multiple clusters in the simulations. The most populated cluster of cilengitide resembled the structure of cilengitide bound to integrin.