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

Florida State University
Institut de Recherches Servier
Protein Design Labs, Inc.

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

29 Scopus citations

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.",

author = "Hagai Meirovitch and Eva Meirovitch and Michel, \{Andre G.\} and Maximiliano V{\'a}squez",

year = "1994",

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AU - Michel, Andre G.

AU - Vásquez, Maximiliano

PY - 1994

Y1 - 1994

N2 - 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.

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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JO - Journal of Physical Chemistry

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

Abstract

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