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http://repositorio.ufla.br/jspui/handle/1/28365| Title: | SAMTa - Uma nova proposta para análise computacional de dinâmicas moleculares |
| Other Titles: | SAMTa - A new proposal for computational analysis of molecular dynamics |
| Keywords: | Sistema de Análise Molecular de Trajetórias Química computacional Algoritmo K-Means System for molecular analysis of trajectories Computational chemistry K- Means algorithm |
| Issue Date: | 2010 |
| Publisher: | Universidade Estadual de Maringá |
| Citation: | CARVALHO, B. de A. et al. SAMTa - Uma nova proposta para análise computacional de dinâmicas moleculares. Acta Scientiarum. Technology, Maringá, v. 32, n. 4, p. 355-360, 2010. |
| Abstract: | This article provides an overview of the implementation of the System for Molecular Analysis of Trajectories (SAMTa, acronym in Portuguese). It addresses the simulation of molecular compounds using computer approaches, the method of selection by mathematical analysis using K-Means. The results on the development and use of the software are illustrated with a case study concerning EPSP synthase inhibitors. |
| URI: | http://periodicos.uem.br/ojs/index.php/ActaSciTechnol/article/view/2258/0 http://repositorio.ufla.br/jspui/handle/1/28365 |
| Appears in Collections: | DQI - Artigos publicados em periódicos |
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