Sentence examples for by simulating molecular docking from inspiring English sources
The screening from the Traditional Chinese Medicine (TCM) database by simulating molecular docking and molecular dynamics could select candidate compounds, which may express MX2 against HIV.
The traditional Chinese medicine (TCM) database has been screened for molecular compounds by simulating molecular docking and molecular dynamics to regulate Ras and liver tumorigenesis.
Screening the traditional Chinese medicine (TCM) database by simulating molecular docking and molecular dynamics may select molecular compounds to inhibit INSTIs against HIV drug resistance.
The traditional Chinese medicine (TCM) database has been screened for candidate compounds by simulating molecular docking and molecular dynamics against HIV.
The screening of traditional Chinese medicine (TCM) database has found the molecular compounds by simulating molecular docking and molecular dynamics to regulate ESR1.
The interaction of DPO derivatives with mannitol dehydrogenase (MDH) or extracellular DNA (eDNA) in the biofilm was simulated by molecular docking to reveal possible mechanism.
The binding mode of compound 6k with GSK-3β was simulated using molecular docking tools.
This can be achieved by modeling the structure of mutants computationally and by performing molecular docking simulations.
The molecular interactions with SIRT1 enzyme were also supported by molecular docking simulations.
In addition, the structure activity relationships (SARs) were supported by molecular docking simulation.
The reactivity of this complex to human serum albumin (HSA) under simulated physiological conditions was studied by spectroscopic and molecular docking analysis.
