Predict Blood Plasma Albumin-Drug Partitioning

Predicting blood plasma albumin-drug partitioning computed as percent of albumin bound drug

You can specify a single ligand structure in a molecular editor, or upload a small SDF file with structures. NOTE: only first 7 (seven) structures will be processed.

The Results archive will contain a single tabulated file with predicted blood plasma albumin partitioning. If several ligands were processed from SDF file, each ligand ID is the record index in the uploaded SDF file (starting with 0).

Though the job output is a simple numeric value, it makes use of the same comprehensive protein surface scanning methodology as allosteric and ligand binding sites prediction jobs.  The crystal structure of human albumin is used for all molecular modeling simulations.