AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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Molecular dynamics (MD) simulations are a powerful tool for elucidating the molecular mechanisms of supramolecular self-assembly, but the long time scales of aggregation often make all-atom simulations computationally challenging. Here, we evaluate the recently developed TIP3P-FAST water model as a simple strategy to...
The influence of the positional placement of chiral handles on a molecular core upon self-organization and chiroptical properties is investigated using phenylalanine-substituted oligo(p-phenyleneethynylene)s (OPEs) through joint chiroptical and molecular dynamics simulation studies. The linear OPE systems with d- and...
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