Freddie Salsbury

Prof. Freddie Salsbury


Research Focus & Metrics

Academic Career Length

30Years (1997-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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19 June 2003 in Journal of Computational Chemistry
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Journal Article
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MLMichael S. Lee
Michael S. Lee
MFMichael Feig
Michael Feig
FSFreddie Salsbury
Freddie Salsbury
CBCharles L. Brooks
Charles L. Brooks

7 June 2002 in The Journal of Chemical Physics
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Journal Article
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MLMichael S. Lee
Michael S. Lee
FSFreddie Salsbury
Freddie Salsbury
CBCharles L. Brooks
Charles L. Brooks
The generalized Born (GB) model is a simple continuum dielectric model for the calculation of molecular electrostatic solvation energies. It is a pairwise approximation to the solution of the Poisson equation for continuum electrostatic solvation. Key to the GB method is the calculation of Born radii for every atom in the system. We introduce two new methods for determining Born radii. The first is a two-parameter grid-based method that uses nearly the same molecular volume that is used in conventional Poisson calculations. The second is a five-parameter analytical method that utilizes a molecular volume built from a superposition of atomic functions. The analytical method, distinct from the grid-based algorithm, is amenable to force-based calculations, e.g., energy minimization and molecular dynamics. Unlike other Born radii methods, both algorithms employ a new empirically determined correction term that includes energetic effects beyond the Coulomb field approximation. With this correction term, the grid-based algorithm generally yields Born radii with greater than 0.99 correlation versus converged numerically derived Poisson Born radii. The analytical method reproduces Born radii with approximately 0.95 correlation versus Poisson-derived Born radii. With respect to absolute solvation energies, the grid-based method achieves an overall 1.3% error versus converged Poisson solutions for a set of 3029 single-chain proteins obtained from the Brookhaven Protein Data Bank. On the other hand, the analytic method delivers modest 2–4 % errors versus the Poisson solutions for the same data set. Results concerning absolute solvation energies of RNA and relative solvation energies in two sets of protein conformations are also presented.

11 June 2004 in Proteins: Structure, Function, and Bioinformatics
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Journal Article
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MLMichael S. Lee
Michael S. Lee
FSFreddie Salsbury
Freddie Salsbury
CBCharles L. Brooks
Charles L. Brooks

1 December 2010 in Current Opinion in Pharmacology
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Journal Article
Closed access
FSFreddie Salsbury
Freddie Salsbury

6 October 2004 in Journal of Computational Chemistry
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Journal Article
Closed access
PDF file
MLMichael S. Lee
Michael S. Lee
FSFreddie Salsbury
Freddie Salsbury
MOMark A. Olson
Mark A. Olson

1 February 2008 in Protein Science
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Journal Article
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FSFreddie Salsbury
Freddie Salsbury
SKStacy T. Knutson
Stacy T. Knutson
LPLeslie B. Poole
Leslie B. Poole
JFJacquelyn S. Fetrow
Jacquelyn S. Fetrow