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Motivated by the above discussions, based on some ideas borrowed from the compound design approach [8], our aim in this paper is to explore the compound synchronization of the fourth-order memristor oscillator (1).
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Co-crystal structures of compounds 16 and 48 supported the design approach and confirmed the key interactions with RORγ protein; the hydrogen bonding with His479 was key to the significant improvement in inverse agonist effect.
Lead compound 4 was identified through the ligand-based drug design approach.
New pyrimidine derivatives 5 14 were designed in an attempt to enhance the renin inhibitory activity of compound 3 identified by our previous fragment-based drug design approach.
Triple reuptake inhibitor, compound 2q, in particular, showed potent serotonin reuptake inhibition, validating our design approach.
Through a structure-based drug design approach, a number of novel β-strand peptidomimetic compounds were synthesized.
We used a rational design approach based on analysis of combinatorial peptide mixtures and focused compound libraries to develop novel peptide hydroxamic acid inhibitors of IDE.
This approach exploits a natural problem decomposition and capitalizes on fast methods for pure compound design and mixture fraction design.
Compounds 7e (IC50 = 6.9 μM) and 7h (IC50 = 12.2 μM) showed better JAK2 inhibition, validating our design approach.
How did your design approach differ?
The Structure-Activity Relationship Matrix (SARM) approach has originally been designed to extract and organize SAR-informative compound series from large data sets and has been further extended to help bridge the gap between data-driven SAR analysis, compound design, and activity predictions and study compound series in multi-target activity spaces.
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CEO of Professional Science Editing for Scientists @ prosciediting.com