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. Author manuscript; available in PMC: 2022 Feb 24.
Published in final edited form as: Chem Rev. 2021 Feb 5;121(4):2545–2647. doi: 10.1021/acs.chemrev.0c01122

Figure 8.

Figure 8.

Protein representations from all-atom to coarse-grained models. (A) All-atom. (B) OPEP. (C) Geometric representation of the protein intermediate-resolution model, PRIME, for polyalanine. Covalent bonds are shown with thick gray lines connecting united atoms for N–H, C=O, Cα-H, and CH3 side chain. At least one of each type of pseudobond is shown with a colored line. Pseudobonds are used to maintain backbone bond angles, consecutive Cα distances, and l-isomerization. The united atoms are not shown full size for ease of viewing. (D) UNRES. (E) Shea’s model.