New insights into short peptides derived from the collagen NC1 α1, α2, and α3 (IV) domains: An experimental and MD simulations study

A review on application of molecular simulation technology in food molecules interaction

“…In the last decade, with the progression of computer science and technology, computing power has improved by leaps and bounds, and MD simulation has begun to demonstrate its powerful ability in many fields. Particularly in the field of biological macromolecules, MD simulation increasingly showed its advantages of fast speed and high agreement with experimental results ( Baildya et al, 2022 ; Mukut et al, 2022 ; Anwar et al, 2020 ; Chamani et al, 2022 ). Mr. Martin Karplus, one of the pioneers of MD simulation, also won the Nobel Prize in chemistry in 2013.…”