Application of Numerical Optimization Methods to Perform Molecular Docking on Graphics Processing Units

An analysis of numerical optimization methods for solving a problem of molecular docking has been performed. Some additional requirements for optimization methods according to GPU architecture features were specified. A promising method for implementation on GPU was selected. Its implementation was...

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Bibliographic Details
Main Authors: M. A. Farkov, A. I. Legalov
Format: Article
Language:English
Published: Yaroslavl State University 2014-10-01
Series:Modelirovanie i Analiz Informacionnyh Sistem
Subjects:
Online Access:https://www.mais-journal.ru/jour/article/view/87