The application of simulated annealing to problems of molecular mechanics

Jules W. Moskowitz; Kevin Schmidt; S. R. Wilson; W. Cui

doi:10.1002/qua.560340865

The application of simulated annealing to problems of molecular mechanics

Jules W. Moskowitz, Kevin Schmidt, S. R. Wilson, W. Cui

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met‐enkephalin.

Original language	English (US)
Pages (from-to)	611-617
Number of pages	7
Journal	International Journal of Quantum Chemistry
Volume	34
Issue number	22 S
DOIs	https://doi.org/10.1002/qua.560340865
State	Published - 1988
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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title = "The application of simulated annealing to problems of molecular mechanics",

abstract = "The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met‐enkephalin.",

author = "Moskowitz, {Jules W.} and Kevin Schmidt and Wilson, {S. R.} and W. Cui",

year = "1988",

doi = "10.1002/qua.560340865",

language = "English (US)",

volume = "34",

pages = "611--617",

journal = "International Journal of Quantum Chemistry",

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T1 - The application of simulated annealing to problems of molecular mechanics

AU - Moskowitz, Jules W.

AU - Schmidt, Kevin

AU - Wilson, S. R.

AU - Cui, W.

PY - 1988

Y1 - 1988

N2 - The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met‐enkephalin.

AB - The results of applying the simulated annealing method to find the lowest energy structure of the decane molecule are analyzed. The algorithm is found to be both efficient and economical. Some preliminary results are presented for a molecule of biochemical interest, Met‐enkephalin.

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U2 - 10.1002/qua.560340865

DO - 10.1002/qua.560340865

M3 - Article

AN - SCOPUS:84990727708

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JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 22 S

ER -

The application of simulated annealing to problems of molecular mechanics

Abstract

ASJC Scopus subject areas

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