DOI: 10.1002/jcc.540140503. Minimization of empirical energy functions in proteins including hydrophobic surface area effects

Minimization of empirical energy functions in proteins including hydrophobic surface area effects

10.1002/jcc.540140503

Crossref journal-article

Wiley

Journal of Computational Chemistry (311)

Abstract

AbstractWe present analytical expressions to calculate the gradient of the water‐accessible surface area of proteins with respect to Cartesian coordinates and dihedral angles. A detailed mathematical analysis leads to corrected equations for the gradient calculation used previously in the ANAREA program. To study the hydrophobic effect of solvent‐protein interactions, our expressions have been implemented to further improve the program package FANTOM. We used this version of FANTOM to minimize the ECEPP/2 and the hydrophobic energy of tendamistat. © 1993 John Wiley & Sons, Inc.

Bibliography

Freyberg, B. V., & Braun, W. (1993). Minimization of empirical energy functions in proteins including hydrophobic surface area effects. Journal of Computational Chemistry, 14(5), 510â521. Portico.

Authors 2

Berthold Von Freyberg (first)
Werner Braun (additional)

References 45 Referenced 51

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 1, 2005, 8:03 p.m.)
Deposited	1 year, 9 months ago (Oct. 24, 2023, 6:47 p.m.)
Indexed	3 weeks, 1 day ago (Aug. 2, 2025, 12:21 a.m.)
Issued	32 years, 3 months ago (May 1, 1993)
Published	32 years, 3 months ago (May 1, 1993)
Published Online	20 years, 11 months ago (Sept. 7, 2004)
Published Print	32 years, 3 months ago (May 1, 1993)

Funders 0

None

BibTeX

@article{Freyberg_1993, title={Minimization of empirical energy functions in proteins including hydrophobic surface area effects}, volume={14}, ISSN={1096-987X}, url={http://dx.doi.org/10.1002/jcc.540140503}, DOI={10.1002/jcc.540140503}, number={5}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Freyberg, Berthold Von and Braun, Werner}, year={1993}, month=may, pages={510–521} }

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