title: Stability and dynamics of virus capsids described by coarse-grained modeling.
abstract: We report a study of the structural dynamics of viral capsids, simulated on a microsecond timescale, by employing a coarse-graining molecular dynamics method. The method was calibrated against an all-atom simulation of one complete virus. Among the studied capsids, some collapsed rapidly, while others were found to be stable. Interlocking between coat proteins is found to be a key factor determining the stability of the capsids.
authors.affiliation: Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
authors.forename: Anton
authors.initials: A
authors.lastname: Arkhipov
authors.forename: Lydia
authors.initials: L
authors.lastname: Freddolino
authors.forename: Klaus
authors.initials: K
authors.lastname: Schulten
mesh_terms: D001671:Biochemistry / Q000379:methods*; D002138:Calibration; D002213:Capsid / Q000737:chemistry* / Q000378:metabolism; D019295:Computational Biology / Q000379:methods; D003198:Computer Simulation; D003201:Computers; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D011485:Protein Binding; D011487:Protein Conformation; D013997:Time Factors; D014584:User-Computer Interface; D014764:Viral Proteins / Q000737:chemistry* / Q000378:metabolism
chemical_list: D014764:Viral Proteins