The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Jul. 01, 2025
Filed:
Jun. 15, 2021
Quantumbio Inc., State College, PA (US);
Lance Michael Westerhoff, Annville, PA (US);
Oleh Y. Borbulevych, Bellefonte, PA (US);
Roger Isaac Martin, State College, PA (US);
QuantumBio Inc., State College, PA (US);
Abstract
The invention is a diagnostic which overlays quantum mechanical analysis to x-ray crystallography or Cryo-EM data from one or more molecules, to assess and identify the real world conformation, protonation and solvent effects of one or more moieties in said molecule. This 'overlay' occurs by scoring and identifying the protomer/tautomer or conformational states of the moieties using quantum mechanical analysis. The diagnostic results of the present invention accurately identify protein-ligand binding, rendered as an output to a user of a computer in which the x-ray crystallography or Cryo-EM data is analysed with semi-empirical Hamiltonian quantum mechanics.