Stability and dynamics of virus capsids described by coarse-grained modeling.
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.
Arkhipov
Anton
A
Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
Freddolino
Lydia
L
Schulten
Klaus
K
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
D014764:Viral Proteins