|Interface||Web user interface|
|Restrictions to use||None|
|Input data||A list of molecules.|
- person_outline Jean-Louis Reymond
Publication for webMolCS
Design, crystal structure and atomic force microscopy study of thioether ligated d,l cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa † †Electronic supplementary information (ESI) available: Compounds analytical data, crystallographic table and data, details of AFM, and list of structures as SMILES. See DOI: 10.1039/c7sc01599b Click here for additional data file.
[…] analyzed were redrawn from the original literature using ChemDraw, and exported as SMILES. The combined SMILES file annotated with compound code and antimicrobial activity data was then imported into WebMolCS to visualize the spread of structural features in various 3D-chemical spaces. The key parameters identified by this analysis (net charge vs. size and aromatic carbon versus non-aromatic carbo […]
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