NJ analyses were performed using the molecular evolution models selected by AIC in ModelTest 3.7 [ 56].
In this article, the appropriate models selected after evaluations were used to molecular clustering for five major NR targets.
Preliminary structure-activity relationships (SARs), reverse transcriptase inhibition efficacy and molecular modeling of selected compounds are also presented.
Molecular modelling of selected modifications, support such a role.
Molecular models of the selected putative candidate sequences were generated using SWISS-MODEL server and in all cases the template automatically selected was Lip3 from C. rugosa (pdb 1llfB and 1cle), one of the versatile lipases better characterized [ 5- 7].
The model selected eight molecular descriptors that encoded information about lipophilicity, the formation of H-bonds, polar surface area, polarisability, nucleophilicity and electrophilicity.
We used a HKY substitution model, selected by jModelTest [ 54], a strict molecular clock and a Yule process as tree prior.
The gag and env gp120 sequence data were analyzed using the evolutionary model selected by the Akaike information criterion in jModeltest 0.1.1 [36] and a relaxed molecular clock (uncorrelated lognormal) under the Yule model.
Variables considered for the multivariate model, selected as significant in the univariate model, were CTC count, number of metastatic sites, molecular subtype, and metastatic site.
