Generalized Yvon-Born-Green Theory for Molecular Systems

J. W. Mullinax, W. G. Noid

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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.

Original languageEnglish (US)
Article number198104
JournalPhysical Review Letters
Volume103
Issue number19
DOIs
StatePublished - Nov 6 2009

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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