A simple and effective procedure for conformational search of macromolecules: Application to met- and leu-enkephalin

Hagai Meirovitch; Eva Meirovitch; Andre G. Michel; Maximiliano Vásquez

doi:10.1021/j100076a002

A simple and effective procedure for conformational search of macromolecules: Application to met- and leu-enkephalin

Hagai Meirovitch, Eva Meirovitch, Andre G. Michel, Maximiliano Vásquez

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Abstract

A simple and efficient method for searching the conformational space of macromolecules is presented. With this method an initial set of relatively low-energy structures is generated, and their energies are further minimized with a procedure that enables escaping from local energy minima. Illustrative calculations are described for Met- and Leu-enkephalin.

Original language	English
Pages (from-to)	6241-6243
Number of pages	3
Journal	Journal of Physical Chemistry
Volume	98
Issue number	25
DOIs	https://doi.org/10.1021/j100076a002
State	Published - 1994
Externally published	Yes

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title = "A simple and effective procedure for conformational search of macromolecules: Application to met- and leu-enkephalin",

abstract = "A simple and efficient method for searching the conformational space of macromolecules is presented. With this method an initial set of relatively low-energy structures is generated, and their energies are further minimized with a procedure that enables escaping from local energy minima. Illustrative calculations are described for Met- and Leu-enkephalin.",

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AU - Michel, Andre G.

AU - Vásquez, Maximiliano

PY - 1994

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AB - A simple and efficient method for searching the conformational space of macromolecules is presented. With this method an initial set of relatively low-energy structures is generated, and their energies are further minimized with a procedure that enables escaping from local energy minima. Illustrative calculations are described for Met- and Leu-enkephalin.

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A simple and effective procedure for conformational search of macromolecules: Application to met- and leu-enkephalin

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