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   Articles with "ani" as a keyword



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A large-scale evaluation of algorithms to calculate average nucleotide identity

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recommendations! Published in 2017 at "Antonie van Leeuwenhoek"

DOI: 10.1007/s10482-017-0844-4

Abstract: Average nucleotide identity (ANI) is a category of computational analysis that can be used to define species boundaries of Archaea and Bacteria. Calculating ANI usually involves the fragmentation of genome sequences, followed by nucleotide sequence… read more here.

Keywords: large scale; nucleotide identity; ani; average nucleotide ... See more keywords
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Structural effect on the strength of non-covalent interactions in binary mixtures of benzyl amine and certain ethers through ultrasonic, FT-IR spectral and DFT studies at 303.15 K

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recommendations! Published in 2019 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2019.01.015

Abstract: Abstract Ultrasonic velocities (u), densities (ρ) and viscosities (η) of four binary liquid mixtures, containing benzyl amine (BA) as common component and four structurally different ethers (tetrahydrofuran (THF), 1,4 dioxane (DIOX), anisole (ANI) and diphenyl… read more here.

Keywords: dft studies; non covalent; ani; covalent interactions ... See more keywords
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Development and Evaluation of Geometry Optimization Algorithms in Conjunction with ANI Potentials.

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recommendations! Published in 2022 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.1c01043

Abstract: An efficient yet accurate method for producing a large amount of energy data for molecular mechanical force field (MMFF) parameterization is on demand, especially for torsional angle parameters which are typically derived to reproduce ab… read more here.

Keywords: geometry optimization; optimization algorithms; algorithms conjunction; geometry ... See more keywords
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Using average nucleotide identity (ANI) to evaluate microsporidia species boundaries based on their genetic relatedness

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recommendations! Published in 2022 at "Journal of Eukaryotic Microbiology"

DOI: 10.1111/jeu.12944

Abstract: Microsporidia are obligatory intracellular parasites related to fungi and since their discovery their classification and origin has been controversial due to their unique morphology. Early taxonomic studies of microsporidia were based on ultrastructural spore features,… read more here.

Keywords: microsporidia; relatedness; nucleotide identity; average nucleotide ... See more keywords
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Structural and Electronic Properties of Novel π-Conjugated Aniline-based Oligomers: A Computational Study

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recommendations! Published in 2018 at "Physical Chemistry Research"

DOI: 10.22036/pcr.2018.119110.1470

Abstract: Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations were carried out for the oligomers of 3, 4- Ethylenedioxythiophene –Aniline (EDOT-Ani), 3, 4-Ethylenedithiafurane- Aniline (EDTF-Ani) and Thieno [3,4-b] benzene-Aniline (PITN-Ani). Structural parameters, electrical conductivity,… read more here.

Keywords: aniline; pitn ani; edot ani; structural electronic ... See more keywords