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. 31, 2012
Filed:
Jun. 12, 2003
Carlos F. Lopez, Philadephia, PA (US);
Steven O. Nielsen, Philadelphia, PA (US);
Preston B. Moore, Philadelphia, PA (US);
Michael L. Klein, Ocean City, NJ (US);
Carlos F. Lopez, Philadephia, PA (US);
Steven O. Nielsen, Philadelphia, PA (US);
Preston B. Moore, Philadelphia, PA (US);
Michael L. Klein, Ocean City, NJ (US);
The Trustees of the University of Pennsylvania, Philadelphia, PA (US);
Abstract
A coarse grain model that mimics a lipid molecule, such as dimyristoylphosphatidylcholine (DMPC), is used to simulate self-assembly of a lamellar bilayer starting from a disordered configuration. The coarse grain model is orders of magnitude less demanding of CPU time compared to all-atom models. An initial bilayer-like structure is generated from a disordered configuration of the coarse grain models using a Monte Carlo simulation. The initial bilayer-like structure is refined using a molecular dynamics simulation. For relatively small systems, the molecular dynamics simulation can be performed under constant volume or constant pressure conditions. For larger systems, the molecular dynamics simulation is preferably performed under constant pressure conditions.