Continuum vs. atomistic approaches to computational spectroscopy of solvated systems.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical communications"
DOI: 10.1039/d2cc07079k
Abstract: Molecular spectral signals can be significantly altered by solvent effects. Among the many theoretical approaches to this problem, continuum and atomistic solvation models have emerged as the most effective for properly describing solvent effects on… read more here.
Keywords: computational spectroscopy; spectroscopy; continuum atomistic; spectroscopy solvated ... See more keywords
Approaches to Computational Strain Design in the Multiomics Era
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DOI: 10.3389/fmicb.2019.00597
Abstract: Modern omics analyses are able to effectively characterize the genetic, regulatory, and metabolic phenotypes of engineered microbes, yet designing genetic interventions to achieve a desired phenotype remains challenging. With recent developments in genetic engineering techniques,… read more here.
Keywords: approaches computational; strain design; computational strain; strain ... See more keywords