Coarse-Grained and Atomistic Simulations of the Salt-Stable Cowpea Chlorotic Mottle Virus (SS-CCMV) Subunit 26–49: β-Barrel Stability of the Hexamer and Pentamer Geometries
J. Chem. Theory Comput. 8 (2012)
This work combines CG and atomistic simulations with clustering algorithms and free energy reweighting methods to explore the conformational equilibrium of certain regions of the salt-stable cowpea chlorotic mottle virus (SS-CCMV).
@article{Bereau_2012, title={Coarse-Grained and Atomistic Simulations of the Salt-Stable Cowpea Chlorotic Mottle Virus (SS-CCMV) Subunit 26–49: β-Barrel Stability of the Hexamer and Pentamer Geometries}, volume={8}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct200888u}, DOI={10.1021/ct200888u}, number={10}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Bereau, Tristan and Globisch, Christoph and Deserno, Markus and Peter, Christine}, year={2012}, month=may, pages={3750–3758} }
