Homology modeling

Homology modeling and molecular dynamics of β-defensin II variants in Amazonian sheep

A. S. Siqueira, de Souza, B. B., Lima, A. R. J., Barbosa, E. M., Azevedo, J. S. N., Gonçalves, E. C., E. Filho, S., Siqueira, A. S., de Souza, B. B., Lima, A. R. J., Barbosa, E. M., Azevedo, J. S. N., Gonçalves, E. C., E. Filho, S., Siqueira, A. S., de Souza, B. B., Lima, A. R. J., Barbosa, E. M., Azevedo, J. S. N., Gonçalves, E. C., and E. Filho, S., “Homology modeling and molecular dynamics of β-defensin II variants in Amazonian sheep”, vol. 15, p. -, 2016.

β-defensins are capable of creating pores in the bacterial membrane. In this study, we aim to determine the structure of 3 different sheep β-defensin 2 (SBD-2) sequences by molecular modeling. A herd of 47 sheep from the Centre for Ovine and Caprine Research of Pará was selected for this investigation. The AA, AG, and GG alleles were found on β-defensin sequences. We used homology modeling and molecular dynamic simulations to generate 3D models of peptides and they were successfully validated.

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