title: Generalized Yvon-Born-Green theory for molecular systems.
abstract: We employ a basis set representation for classical force fields to derive an original system of exact integral equations relating each mode in the force field to an associated set of structural correlation functions. This generalized Yvon-Born-Green theory provides a framework for interpreting complex many-body correlations and also for variationally determining optimal interaction potentials for proteins and other complex molecules directly from structural correlation functions.
authors.affiliation: Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
authors.forename: J W
authors.initials: JW
authors.lastname: Mullinax
authors.forename: W G
authors.initials: WG
authors.lastname: Noid
mesh_terms: D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry*; D015203:Reproducibility of Results
chemical_list: D010455:Peptides