Infrequent metadynamics study of rare-event electrostatic channeling
Abstract
Using infrequent metadynamics, rare-event electrostatic channeling of glucose-6-phosphate (G6P) is studied on cationic polypeptides. Poly-arginine peptides appear to be more efficient than poly-lysine at electrostatically transferring G6P.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2021
- Source ID
- 10.1039/d1cp01304a
Entities
People
- Scott Calabrese Barton
- Yan Xie
Organizations
- Army Research Office
- Michigan State University
- United States Army