Scalability of Molecular Dynamics Simulations of Lipopolysaccharide Membranes Using the GROMACS Software Package on Different Architectures
Referências
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Brandenburg, K., Mayer, H., Koch, M. H., Weckesser, J., Rietschel, E. T. and Seydel, U. (1993). European Journal of Biochemistry, pages 555-563.
Caroff, M. and Karibian, D. (2003). Structure of bacterial lipopolysaccharides. Carbohydrate Research, pages 2431-2447.
Ernst, R. K., Yi, E. C., Guo, L., Lim, K. B., Burns, J. L., Hackett, M. and Miller, S. I. (1999). Science, pages 1561-1565. Hess, B., Kutznet, C., van der Spoel, D. and Lindahl, E. (2008). Journal of Chemical Theory and Computation, pages 435-447.
Hess, B., Kutzner, C., van der Spoel, D. and Lindahl, E. (2008). Journal of Chemical Theory and Computation, pages 116-122.
Kirschner, K. N, Lins, R. D., Maass, A. and Soares, T. A. (2012). Journal of Chemical Theory and Computation, pages 4719-4731.
Machán, R. and Hof, M. (2010). Biochimica et Biophysica Acta, pages 1377-1391.
Nascimento, A., Pontes, F. J. S., Lins, R. D. and Soares, T. A. (2014). Chemical Communication, pages 231-233.
Pontes, F. J. S., Rusu, V. H., Soares, T. A. and Lins, R. D. (2012). Journal of Chemical Theory and Computation, pages 3830-3838.
Raetz, C. and Whitfield, C. (2002). Annual Review of Biochemistry, pages 635-700.
Rietschel, E., Kirikae, T., Schade, F., Mamat, U., Schmidt, G., Loppnow, H., Ulmer, A. J., Zähringer, U., Seydel, U., Di Padova, F., Schreier, M. and Brade, H. (1994). FASEB Journal, pages 217-225.
van der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E. and Berendsen, H. J. C. (2005). Journal of Computational Chemistry, pages 1701-1718.
Brandenburg, K., Mayer, H., Koch, M. H., Weckesser, J., Rietschel, E. T. and Seydel, U. (1993). European Journal of Biochemistry, pages 555-563.
Caroff, M. and Karibian, D. (2003). Structure of bacterial lipopolysaccharides. Carbohydrate Research, pages 2431-2447.
Ernst, R. K., Yi, E. C., Guo, L., Lim, K. B., Burns, J. L., Hackett, M. and Miller, S. I. (1999). Science, pages 1561-1565. Hess, B., Kutznet, C., van der Spoel, D. and Lindahl, E. (2008). Journal of Chemical Theory and Computation, pages 435-447.
Hess, B., Kutzner, C., van der Spoel, D. and Lindahl, E. (2008). Journal of Chemical Theory and Computation, pages 116-122.
Kirschner, K. N, Lins, R. D., Maass, A. and Soares, T. A. (2012). Journal of Chemical Theory and Computation, pages 4719-4731.
Machán, R. and Hof, M. (2010). Biochimica et Biophysica Acta, pages 1377-1391.
Nascimento, A., Pontes, F. J. S., Lins, R. D. and Soares, T. A. (2014). Chemical Communication, pages 231-233.
Pontes, F. J. S., Rusu, V. H., Soares, T. A. and Lins, R. D. (2012). Journal of Chemical Theory and Computation, pages 3830-3838.
Raetz, C. and Whitfield, C. (2002). Annual Review of Biochemistry, pages 635-700.
Rietschel, E., Kirikae, T., Schade, F., Mamat, U., Schmidt, G., Loppnow, H., Ulmer, A. J., Zähringer, U., Seydel, U., Di Padova, F., Schreier, M. and Brade, H. (1994). FASEB Journal, pages 217-225.
van der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E. and Berendsen, H. J. C. (2005). Journal of Computational Chemistry, pages 1701-1718.
Publicado
28/07/2014
Como Citar
PONTES, Frederico; RUSU, Victor; DIAS, Roberta; HORA, Gabriel; SANTOS, Denys; POL-FACHIN, Laércio; LINS, Roberto; SOARES, Thereza.
Scalability of Molecular Dynamics Simulations of Lipopolysaccharide Membranes Using the GROMACS Software Package on Different Architectures. In: BRAZILIAN E-SCIENCE WORKSHOP (BRESCI), 8. , 2014, Brasília.
Anais [...].
Porto Alegre: Sociedade Brasileira de Computação,
2014
.
p. 73-76.
ISSN 2763-8774.
