In silico design of peptides equilibrated in a lipid bilayer with partition free energies indicating probability of antimicrobial activity
US10810329B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Aug 17, 2016 |
| Grant date | Oct 20, 2020 |
| Priority date | — |
| Expiry date | Apr 23, 2039 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C99/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
The present invention provides an evaluating system and the use thereof for the efficacy of antimicrobial peptide, which includes the following steps: (a) constructing a peptide by a first input unit, and load the peptide into an aqueous solution for a first time for equilibration; (b) constructing a lipid bilayer by a second input unit, and load the lipid bilayer into an aqueous solution for a second time for equilibration; (c) Using a first processing unit, simulations are carried out for an aqueous system containing an equilibrated peptide from the first input unit and the equilibrated lipid bilayer from the second input unit; (d) calculating the partition free energy of the peptide by a second processing unit; (e) outputting the prediction by an output unit, wherein the output unit is connected with the first processing unit and the second processing unit.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.