ABSTRACT Metagenome-assembled genomes (MAGs) expand our understanding of microbial diversity, evolution, and ecology. Concerns have been raised on how sequencing, assembly, binning, and quality assessment tools may result in MAGs that do not reflect single populations in nature. Here, we reflect on another issue, i.e., how to handle highly similar MAGs assembled from independent data sets. Obtaining multiple genomic representatives for a species is highly valuable, as it allows for population genomic analyses; however, when retaining genomes of closely related populations, it complicates MAG quality assessment and abundance inferences. We show that (i) published data sets contain a large fraction of MAGs sharing >99% average nucleotide identity, (ii) different software packages and parameters used to resolve this redundancy remove very different numbers of MAGs, and (iii) the removal of closely related genomes leads to losses of population-specific auxiliary genes. Finally, we highlight some approaches that can infer strain-specific dynamics across a sample series without dereplication.
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A formally exact theory to construct nonreactive forcefields using linear regression to optimize bonded parameters
This article derives and tests: (1) a formally exact forcefield functional theory to construct non-reactive forcefields using linear regression for bonded parameters and (2) better bond-stretch and angle-bending model potentials.
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- Award ID(s):
- 1555376
- PAR ID:
- 10550548
- Publisher / Repository:
- Royal Society of Chemistry
- Date Published:
- Journal Name:
- RSC Advances
- Volume:
- 14
- Issue:
- 45
- ISSN:
- 2046-2069
- Page Range / eLocation ID:
- 33345 to 33383
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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