title: The Database of Macromolecular Motions: new features added at the decade mark.
abstract: The database of molecular motions, MolMovDB (http://molmovdb.org), has been in existence for the past decade. It classifies macromolecular motions and provides tools to interpolate between two conformations (the Morph Server) and predict possible motions in a single structure. In 2005, we expanded the services offered on MolMovDB. In particular, we further developed the Morph Server to produce improved interpolations between two submitted structures. We added support for multiple chains to the original adiabatic mapping interpolation, allowing the analysis of subunit motions. We also added the option of using FRODA interpolation, which allows for more complex pathways, potentially overcoming steric barriers. We added an interface to a hinge prediction service, which acts on single structures and predicts likely residue points for flexibility. We developed tools to relate such points of flexibility in a structure to particular key residue positions, i.e. active sites or highly conserved positions. Lastly, we began relating our motion classification scheme to function using descriptions from the Gene Ontology Consortium.
authors.affiliation: Department of Physics, Yale University, P.O. Box 208120, New Haven, CT 06520-8120, USA. Samuel.Flores@yale.edu
authors.forename: Samuel
authors.initials: S
authors.lastname: Flores
authors.forename: Nathaniel
authors.initials: N
authors.lastname: Echols
authors.forename: Duncan
authors.initials: D
authors.lastname: Milburn
authors.forename: Brandon
authors.initials: B
authors.lastname: Hespenheide
authors.forename: Kevin
authors.initials: K
authors.lastname: Keating
authors.forename: Jason
authors.initials: J
authors.lastname: Lu
authors.forename: Stephen
authors.initials: S
authors.lastname: Wells
authors.forename: Eric Z
authors.initials: EZ
authors.lastname: Yu
authors.forename: Michael
authors.initials: M
authors.lastname: Thorpe
authors.forename: Mark
authors.initials: M
authors.lastname: Gerstein
mesh_terms: D030562:Databases, Protein; D004980:Ethane / Q000737:chemistry; D020407:Internet; D046911:Macromolecular Substances / Q000737:chemistry; D008968:Molecular Conformation; D009038:Motion; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry; D012984:Software; D014584:User-Computer Interface
chemical_list: D046911:Macromolecular Substances; D011506:Proteins; D004980:Ethane