Advancements in high-performance computing have allowed molecular simulation methods to play a more substantial role in supporting experiments and transcend such mandate to guide experimental design and lead autonomously scientific discovery. This review presents the foundations underlying the multiscale molecular simulations methods, from atomistic to coarse-grained, used in complex carbohydrate research. The applications to glycan and glycoconjugates, polysaccharides, proteins-glycans interactions,… illustrate the relevance of computer simulations to the field of glycoscience. Click on the title for more information.
The chapter is available over here.
07 October 2021 par directioncermav
03 September 2021 par directioncermav
27 August 2021 par directioncermav