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In contact mode the molecular structure of the periplasmic side of the transmembrane pigment-protein complex was observed.
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As a consequence of the wealth of binding modes, the molecular architectures observed for cobalt II) complexes of carboxylate ligands are extremely rich and varied.
Although molecular dynamics was of the picosecond time scale, generally, this poly(DecCPA) molecule had the mode of the molecular motion of π-conjugated main chain.
The current study investigated the exact binding mode and the molecular interactions of PKI-179 with PI3Kγ and mTOR using molecular docking and (un binding simulation analyses.
Docking simulation of compounds 10 and 20 was carried out to illustrate the binding mode of the molecular into the EGFR active site, and the result suggested that compound 10 and 20 can bind the EGFR kinase well.
MS spectra showed mass-to-charge ratio (m/z) of 233 in positive ESI mode representing the molecular weight of barakol (232).
The high temperature reduces the inelastic scattering length by increasing the phonon population, rendering electron-phonon interaction sufficiently strong to activate the different vibrational mode of the molecular system, which can engender pronounced current.
The analysis cannot tell however if these forces act in normal or shear mode on the molecular scale of a cadherin-cadherin linkage.
In positive ion mode, the protonated molecular ion at m/z 407 [M + H]+ and a sodium adduct ion at m/z 429 [M + Na]+ were found in its MS spectrum.
In negative ion mode, the deprotonated molecular ion at m/z 405 [M-H]-, formic acid adduct ion at m/z 451 [M-H + HCOOH]- and 811 [2 M-H]- were found in its MS spectrum.
In "mono-regulated" gene mode, the only molecular mechanism (methylation, chromatin structure, or transcription factor[s] etc).
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