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The Sound Pressure Level (SPL) distribution of the manifold flow noise is studied based on a theoretical method that combines large eddy simulations with the Ffowcs Williams–Hawkings (FW H) acoustic analogy theory.
Since the calculation of these quantities requires measurement of the contact angles between a liquid drop and the fibres, we use here a theoretical method that allows calculating the contact angle on cylindrical surfaces using measurable geometrical dimensions of the drop.
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In our study we focused on a computational investigation of the hydrolytic mechanism of human RNase HI (PDB Code 2QKK) [1] using a comprehensive QM/MM theoretical method that is based on DFT/B3LYP calculation of the interactions in the QM region and the inclusion of the interactions of the surrounding protein and solvent water in the MM region as implemented in the software package of NWChem [2].
Drawbacks of this theoretical method that inevitably neglects the protein environment have become evident with the first determinations of three-dimensional structures of phytochromes.
The experimental or theoretical method that can visualize or quantify the architecture of bio-cake formed on the surface of membrane is of great interest in understanding biofouling mechanisms, also controlling biofouling in a membrane bioreactor (MBR).
Here we provide an information theoretical method that, in the same spirit as the Hill and Scatchard plots [ 8], identifies and quantifies cooperativity in macromolecular assemblies and visualizes for a spectrum of concentrations when optimal coordination is obtained for the given experimental data.
Unlike conventional theoretical methods that generate a single mathematical model for a cancer network for detailed theoretical analysis, ours is a systems biology approach to cancer network markers based on real microarray data through reverse engineering, theoretical statistical methods, and data mining in combination with big databases.
The discovery that it superconducts at 250 K is a victory not only for Eremets and his team but also for the theoretical methods that predicted it.
Hammes-Schiffer's work also led to a comprehensive classification of PCET reactions in terms of time scales, couplings, and theoretical methods that are applicable to the different PCET regimes.
This solvent-centric approach complements current theoretical methods that consider only the steric and electrostatic properties of protein surfaces.
This chapter reviews the experimental and theoretical methods that can be adopted for determining the values of the kinetic constants for gas phase and surface processes.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com