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Molecular modeling and kinetic studies suggested that 6d was a mixed-type inhibitor, binding simultaneously to CAS and PAS of AChE.
Isotherm modeling and kinetic investigations showed that Langmuir, modified Langmuir, and pseudo-second-order models describe both the adsorption equilibrium and kinetic behavior well.
Molecular modeling and kinetic studies revealed that compound 6e was a competitive MAO-B inhibitor, which can occupy the active site of MAO-B, and interact with Aβ (1 42) via π-π and cation π stacking interactions.
Also, molecular modeling and kinetic studies showed that compounds 5l and 5j bound simultaneously to the peripheral anionic site (PAS) and catalytic sites (CS) of the AChE and BChE.
Molecular modeling and kinetic studies revealed that compound 7f was a mixed-type inhibitor, which bond simultaneously to CAS and PAS of AChE, and it was also a competitive inhibitor, which occupied the active site of MAO-B.
Molecular modeling and kinetic experiments have suggested that N-Bu DNJ is a competitive inhibitor that mimics the ceramide acceptor but not the donor substrate (UDP-glucose) in the glucosylceramide synthase-catalyzed process.
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Molecular modeling and enzyme kinetic study revealed that it targeted both the catalytic active site and the peripheral anionic site of AChE.
In this study, we first developed a modeling framework which combines isotopic and kinetic models, while taking the system-wide KIEs into account.
We are confident that the NetworkReducer algorithm provides a valuable tool for the application of computationally expensive analyses, for educational purposes, as well to identify core models for kinetic modeling and isotopic tracer experiments.
This work presents a comprehensive experimental and kinetic modeling study on the combustion of n-propylbenzene.
An experimental and kinetic modeling study of the oxidation of methyl formate (MF) has been performed.
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