Design of force fields from data at finite temperature

J. M. Deutsch and Tanya Kurosky
Phys. Rev. E 56, 4553 – Published 1 October 1997
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Abstract

We investigate the problem of how to obtain the force field between atoms of an experimentally determined structure. We show how this problem can be efficiently solved, even at finite temperature, where the position of the atoms differs substantially from the ground state. We apply our method to systems modeling proteins and demonstrate that the correct potentials can be recovered even in the presence of thermal noise.

  • Received 18 April 1997

DOI:https://doi.org/10.1103/PhysRevE.56.4553

©1997 American Physical Society

Authors & Affiliations

J. M. Deutsch and Tanya Kurosky

  • University of California, Santa Cruz, California 95064

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Vol. 56, Iss. 4 — October 1997

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