Phys. Rev. Lett. 103, 198104 (2009) [4 pages]Generalized Yvon-Born-Green Theory for Molecular SystemsReceived 6 June 2009; published 6 November 2009 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. © 2009 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.103.198104
DOI:
10.1103/PhysRevLett.103.198104
PACS:
87.15.A−, 05.20.Jj, 61.20.Gy, 87.15.−v
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