Unraveling the molecular mechanism of collagen flexibility during physiological warmup using molecular dynamics simulation and machine learning.

ABSTRACT: Physiological warmup plays an important role in reducing the injury risk in different sports. In response to the associated temperature increase, the muscle and tendon soften and become easily stretched. In this study, we focused on type I collagen, the main component of the Achilles tendon, to unveil the molecular mechanism of collagen flexibility upon slight heating and to develop a model to predict the strain of collagen sequences. We used molecular dynamics approaches to simulate the molecular structures and mechanical behavior of the gap and overlap regions in type I collagen at 307 K, 310 K, and 313 K. The results showed that the molecular model in the overlap region is more sensitive to temperature increases. Upon increasing the temperature by 3 degrees Celsius, the end-to-end dista

SUBMITTER: Hui WH 

PROVIDER: S-EPMC9969283 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature