Structure determination of butylone as a new psychoactive substance using chiroptical and vibrational spectroscopies.
Sign Up to like & getrecommendations! Published in 2018 at "Chirality"
DOI: 10.1002/chir.22825
Abstract: Recently, there has been a worldwide substantial increase in the consumption of new psychoactive substances (NPS), compounds that mimic the structure of illicit drugs, such as amphetamines or ecstasy. The producers try to avoid the… read more here.
Keywords: vibrational spectroscopies; chiroptical vibrational; structure determination; structure ... See more keywords
Smoothing membrane protein structure determination by initial upstream stage improvements
Sign Up to like & getrecommendations! Published in 2019 at "Applied Microbiology and Biotechnology"
DOI: 10.1007/s00253-019-09873-1
Abstract: Membrane proteins (MP) constitute 20–30% of all proteins encoded by the genome of various organisms and perform a wide range of essential biological functions. However, despite they represent the largest class of protein drug targets,… read more here.
Keywords: protein; structure; structure determination; upstream stage ... See more keywords
Tuning interval Branch-and-Prune for protein structure determination
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Global Optimization"
DOI: 10.1007/s10898-018-0635-0
Abstract: The interval Branch and Prune (iBP) algorithm for obtaining solutions to the interval Discretizable Molecular Distance Geometry Problem (iDMDGP) has proven itself as a powerful method for molecular structure determination. However, substantial obstacles still must… read more here.
Keywords: interval branch; branch prune; structure determination; structure ... See more keywords
Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19
Sign Up to like & getrecommendations! Published in 2021 at "Bioorganic Chemistry"
DOI: 10.1016/j.bioorg.2021.104772
Abstract: The pandemic by COVID-19 is hampering everything on the earth including physical and mental health, daily life and global economy. At the moment, there are no defined drugs, while few vaccines are available in the… read more here.
Keywords: crystal structure; copper complexes; designing crystal; copper ... See more keywords
Cryo-EM Structure Determination and Model Fitting of the Proton-Gated Ligand-Gated Ion Channel glic at Multiple pH States
Sign Up to like & getrecommendations! Published in 2020 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2019.11.3155
Abstract: Cryo-EM Structure Determination and Model Fitting of the Proton-Gated Ligand-Gated Ion Channel glic at Multiple pH States read more here.
Keywords: cryo structure; determination model; fitting proton; structure determination ... See more keywords
Structure determination of terpenes by the crystalline sponge method
Sign Up to like & getrecommendations! Published in 2020 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2020.110548
Abstract: Abstract The crystalline sponge method was used to produce novel encapsulation complexes with the aim of structural determination of terpenes, such as geraniol-monoterpenoid, farnesol-sesquiterpenoid and β-damascone-tetraterpenoids. Along with the structure determination of the terpenoids, non-bonding… read more here.
Keywords: determination; sponge method; structure determination; crystalline sponge ... See more keywords
Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.09.089
Abstract: Abstract The structure determination from laboratory X-ray powder diffraction data of oxamic acid, a derivative of the biologically active oxalic acid and the simplest organic acid containing an amide group, is presented in this contribution.… read more here.
Keywords: structure determination; oxamic acid; structure; diffraction data ... See more keywords
DFT-supported structure determination of gymunomitr-3(15)-en-4b,9b-diol
Sign Up to like & getrecommendations! Published in 2020 at "Tetrahedron"
DOI: 10.1016/j.tet.2020.131301
Abstract: Abstract The investigation of the relative and absolute configuration of gymnomitr-3(15)-en-4β,9β-diol (1), a metabolite isolated from the culture medium of Calcarisporium arbuscula, is described. Since the pseudosymmetry of 1 hindered its configurational elucidation based on… read more here.
Keywords: dft supported; supported structure; structure determination; gymunomitr diol ... See more keywords
Structure determination of group II introns.
Sign Up to like & getrecommendations! Published in 2017 at "Methods"
DOI: 10.1016/j.ymeth.2017.06.020
Abstract: Group II introns are self-splicing catalytic RNAs that are able to excise themselves from pre-mRNAs using a mechanism identical to that utilized by the spliceosome. Both structural and phylogenetic data support the hypothesis that group… read more here.
Keywords: structure determination; determination group; group introns; group ... See more keywords
Structure Determination of Molecular Sieve Nanoparticles with Electron Microscopy and Powder X-Ray Diffraction
Sign Up to like & getrecommendations! Published in 2017 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927617009667
Abstract: Molecular sieves are crystalline materials with ordered pores of molecular sizes. Zeolites and metalorganic frameworks (MOFs) are the most utilized molecular sieve materials. Zeolites are silicon dioxide with ordered micropores (0.5 nm – 2 nm),… read more here.
Keywords: molecular sieve; structure determination; determination molecular; microscopy ... See more keywords
The Protein Fusion Strategy Facilitates the Structure Determination of Small Membrane Proteins by Cryo-EM.
Sign Up to like & getrecommendations! Published in 2022 at "Biochemistry"
DOI: 10.1021/acs.biochem.2c00319
Abstract: Despite the resolution revolution of cryo-EM, structures of small membrane proteins ( read more here.
Keywords: fusion; membrane proteins; structure determination; protein fusion ... See more keywords