A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25390
Abstract: Computational vibrational spectroscopy serves as an important tool in the interpretation of experimental infrared (IR) spectra. In this article, we present a systematic benchmarking study of DFTB3 with two different computational vibrational spectroscopic methods, based… read more here.
Keywords: normal mode; dftb3; systematic benchmarking; vibrational spectroscopy ... See more keywords
Systematic benchmarking of tools for CpG methylation detection from nanopore sequencing
Sign Up to like & getrecommendations! Published in 2021 at "Nature Communications"
DOI: 10.1038/s41467-021-23778-6
Abstract: DNA methylation plays a fundamental role in the control of gene expression and genome integrity. Although there are multiple tools that enable its detection from Nanopore sequencing, their accuracy remains largely unknown. Here, we present… read more here.
Keywords: benchmarking tools; methylation; detection nanopore; systematic benchmarking ... See more keywords