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- W1972122736 abstract "Collagen is made of triple helices rich in proline residues, and hence is influenced by the conformational motions of prolines. Because the backbone motions of prolines are restricted by the helical structures, the only side chain motion—proline puckering—becomes an influential factor that may affect the stability of collagen structures. In molecular simulations, a proper proline puckering population is desired so to yield valid results of the collagen properties. Here we design the proline puckering parameters in order to yield suitable proline puckering populations as demonstrated in the experimental results. We test these parameters in collagen and the proline dipeptide simulations. Compared with the results of the PDB and the quantum calculations, we propose the proline puckering parameters for the selected collagen model simulations." @default.
- W1972122736 created "2016-06-24" @default.
- W1972122736 creator A5042019170 @default.
- W1972122736 date "2015-03-01" @default.
- W1972122736 modified "2023-09-23" @default.
- W1972122736 title "Proline puckering parameters for collagen structure simulations" @default.
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- W1972122736 doi "https://doi.org/10.1063/1.4915295" @default.
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