Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans
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DOI: 10.1021/acs.jcim.2c01472
Abstract: In computational studies of glycosaminoglycans (GAGs), a group of anionic, periodic linear polysaccharides, so far there has been very little discussion about the role of solvent models in the molecular dynamics simulations of these molecules.… read more here.
Keywords: model benchmark; molecular dynamics; solvent models; solvent model ... See more keywords