A Well-Balanced Force Field ff03CMAP for Folded and Disordered Proteins.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00623
Abstract: Intrinsically disordered proteins (IDPs) and folded proteins consist of the family of proteins. Molecular dynamics simulation as an important complement of experiment methods was widely used in the research of protein structure-function relationship. However, the… read more here.
Keywords: force field; folded proteins; force; field ff03cmap ... See more keywords
On the Emergence of Orientational Order in Folded Proteins with Implications for Allostery
Sign Up to like & getrecommendations! Published in 2021 at "Symmetry"
DOI: 10.3390/sym13050770
Abstract: The beautiful structures of single and multi-domain proteins are clearly ordered in some fashion but cannot be readily classified using group theory methods that are successfully used to describe periodic crystals. For this reason, protein… read more here.
Keywords: order folded; order; emergence orientational; folded proteins ... See more keywords