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The structural modification and molecular docking-based screening approaches on thiazole-based isoindolinediones were imposed to find the novel 2- 4-phenylthiazol-2-yl) isoindoline-1,3-dione derivatives.
Re-engineering the prototype vector AAV2 using epitope insertion, chemical modification, and molecular evolution not only demonstrated the flexibility of the best-studied serotype, but now also expanded the tool kit for molecular modification of all AAV serotypes.
Reliable and fast computation of macromolecule small molecule noncovalent binding energy is crucial for structure-based molecular design, lead modification and molecular docking, and quantum mechanics/molecular mechanics (QM/MM) has recently emerged as a new and powerful tool to fulfill this purpose.
Therefore, both morphological modification and molecular profile change suggest that AQP5 expression in BEAS-2B cells induces EMT, thus promoting cell invasion and metastasis.
As natively disordered regions are often functionally important and commonly associated with molecular assembly, protein modification and molecular recognition [80], [81], incorporating this information might be helpful for improving prediction performance.
We demonstrate how to assemble enriched data sets of histone modification and molecular interaction data by accessing different DAS sources using the API.
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From the modelling, we present several design guidelines for efficient singlet fission, which is together with practical molecular structures, chemical modifications and molecular configurations.
Chemical modifications and molecular re-engineering of ferritin yield a versatile platform of nanocarriers capable of delivering a broad range of therapeutic and imaging agents.
The mechanism of thermooxidative degradation at 80°C of a narrow distribution linear ethylene butene copolymer has been described by determining the chemical modifications and molecular weight distribution changes occurring in the polymer chains, and successively fitting the experimental results with a mathematical model which allows scission and crosslinking reactions to occur simultaneously.
IDPs were predicted to be enriched in both prokaryotic and eukaryotic genomes [56], [57] and perform various functions, including transcription and translation regulation, cellular signal transduction, protein modifications, and molecular assemblies.
Furthermore, we identified differences in drug-induced phenotypes with respect to histone modifications and molecular determinants of sensitivity.
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