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A molecular interaction model for ROS1 kinase and inhibitors has been proposed.
Construction of the PTEN p85α molecular interaction model is detailed in the Appendix 1.
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In this work we refer to both the perturbation signatures and molecular interaction models as "model signatures".
Gene expression signatures of molecular pathway activation derived from perturbation experiments in model systems as well as structural models of molecular interactions ("model signatures") constitute an important resource for estimating corresponding activation levels in tumours.
As is common in applications of Bayesian networks to real data, we assume that our molecular-interaction model has no directed cycles.
The molecular interaction volume model (MIVM) was used to model the activity coefficient of Ca and Mg in Ca Mg liquid alloys.
To explain the connection between short-range order of liquid Ca Sb alloys and the strong deviation from ideality in the thermodynamic properties, two thermodynamic models were invoked and reconciled: the regular associated solution model, assuming the presence of a CaSb2 associate, and the molecular interaction volume model (MIVM).
The activity coefficients of components of Sn Sb alloy were calculated by using the molecular interaction volume model (MIVM), and the calculated average relative deviation and the average standard deviation were ±0.00039 and ± 0.173%, respectively for both Sn and Sb.
Based on the molecular interaction volume model (MIVM), the vapor liquid phase equilibrium of Sn Sb alloy was calculated, which was used to predict the element distribution of Sn Sb alloy between vapor and liquid phase during vacuum distillation.
Finally, we build two predictive models via the 3D-QSAR using different molecular alignment and the alignment independent Molecular Interaction Field models.
This study probes the molecular interactions between model drugs and poloxamers that facilitate dissolution rate improvements using solid dispersions.
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