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The mechanical response of three types of molecular rods to various loads was computationally examined.
The nonequilibrium effect in the context of the k-ε turbulence model, the grid distribution, and the choice of convection schemes have been computationally examined in projectile flows.
The structure of an unconfined premixed propane-air flame, stabilized on a conical bluff body, has been computationally examined for conditions of 0.8 to near blow off equivalence ratio.
In our study, we computationally examined the inhibitory action of EGCG against the native and the mutant SOD1 through molecular docking, steered molecular dynamics and conformational sampling methods From the outcome, we could conjecture that the protein destabilization and increased β-sheet propensity that occurred due to mutation were regained upon the binding of EGCG.
Furthermore, for the first time, the pharmacological and biological activities of the various polyhydroquinoline derivatives were computationally examined using the PASS program.
We have developed, computationally examined and experimentally validated the sRNAscanner algorithm.
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Constitutive behavior at each scale can be determined by analytically or computationally examining the micromechanics at each scale.
Using a simple beam-based paradigmatical design, we theoretically and computationally examine flexoelectric energy harvesting under harmonic mechanical excitation.
This paper analytically and computationally examines the transient jet used to ignite combustible mixtures during Turbulent Jet Ignition (TJI).
To computationally examine the conformation and intrinsic energetics of the cisoid cyclization pathway, we conducted density functional theory (DFT) calculations.
In order to computationally examine this hypothesis, we have carried out ab initio QM/MM MD simulations for the MS-275-like simple benzamide in HDAC3 as well as the β-hydroxymethyl chalcone in HDAC1/2/3.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com