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We present here molecular dynamics-based pharmacophore modeling of caspase-3-isatin sulfonamide crystal structure, to elucidate the essential non-covalent contacts and its associated pharmacophore features necessary to ensure caspase-3 optimal binding.
Further research is necessary, e.g., on a molecular level and a detailed characterization of cell wall components and cell wall structure, to elucidate on the additional forces which might be involved in the binding mechanism between yeast derivatives and enteropathogenic bacteria.
We applied this more focused analysis, where individual members and interactions in the networks were studied rather than their global structure, to elucidate the drug therapy based relationships between various cancers and the factors that may influence these relationships.
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The lncRNA structures are poorly understood and it becomes indispensable to characterize the structures to elucidate the structure function relationships.
In our work, we investigate the mutual influences of tumor cells and neural structures to elucidate the complex interaction and effect of cancer and metastasis forming within the body.
In particular, we paid special attention to the application of near-edge X-ray absorption fine structure (NEXAFS) to elucidate the chemical species and electronic structure and to unambiguously identify the level of unsaturation in the plasma-polymerized films.
Our results demonstrate the value of the use of mtDNA combined with nuclear microsatellite loci to detect genetic structure and to elucidate the evolutionary history of fish species.
The present study uses ITS2 secondary structure information to elucidate the phylogeny of a species-rich young radiation of arthropods, the butterfly subgenus Agrodiaetus.
The structure helped to elucidate the role of conserved tetranucleotide and palindrome (two defining features of REP elements) in REP recognition by RAYTs.
The preliminary structure-activity relationship, to elucidate the essential structure requirements for the antimicrobial activity that results into anti-MRSA (methicillin-resistant S. aureus) potential, has been described.
Protein sequence alignments, hydrophobicity plots and the 3-D structures were used to elucidate structural domains of the putative proteins.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com