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MINIMIZATION OF POLYPEPTIDE ENERGY, VIII. APPLICATION OF THE DEFLATION TECHNIQUE TO A DIPEPTIDE

In minimizing the energy of a polypeptide, it is necessary to be able to move out of local minima in the search for the global minimum of the energy. For this purpose, the standard technique of deflation (in solving systems of nonlinear equations) is described and applied to the calculation of vario...

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Detalhes bibliográficos
Main Authors: Crippen, Gordon M., Scheraga, Harold A.
Formato: Artigo
Idioma:Inglês
Publicado em: 1969
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC286123/
https://ncbi.nlm.nih.gov/pubmed/5263023
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