SPACIO-TEMPORAL DETERMINATION OF POLYPEPTIDE STRUCTURE

SPACIO-TEMPORAL DETERMINATION OF POLYPEPTIDE STRUCTURE

Disclosed herein are methods of in silico generation of polypeptide structures using time-based data generated from molecular dynamics simulations. Also disclosed herein are methods of predicting an epitope or binding surface of a polypeptide using in silico methods. Also disclosed herein are compos...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: DUTTON, Oliver, FISICARO, Carlo, HEBERLING, Matthew Michael, HENDERSON, Louie Derek, TAMIOLA, Kamil, REDL, Istvan
Format: Patent
Sprache:eng
Schlagworte:
CHEMISTRY
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
METALLURGY
ORGANIC CHEMISTRY
PEPTIDES
PHYSICS
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Beschreibung
Zusammenfassung:Disclosed herein are methods of in silico generation of polypeptide structures using time-based data generated from molecular dynamics simulations. Also disclosed herein are methods of predicting an epitope or binding surface of a polypeptide using in silico methods. Also disclosed herein are compositions containing polypeptide therapeutics designed to bind to a predicted epitope structure of a polypeptide, as well as methods of treating a subject by administering to the subject compositions containing the same.