It is possible to include the implicit values if the scoring function is classification-based, where input is classified into weak, intermediate, or strong binders. Although this will inevitably reduce the information used to deduce the scoring function and reduce the accuracy of the scoring function, using a classificationbased approach will allow more input data. This may compensate for the loss of specific binding information. Unfortunately, it is impossible to resolve the discrepancy introduced by using different competing peptides; prior knowledge will be required to be able to choose one IC50 value over another. In conclusion, the present study implemented the Fresno scoring function using open source and free software. We have also looked at some of the obstacles faced by researchers in the attempt to develop free energy scoring functions. Currently, sequence-based methods exploring binding motif or utilising artificial intelligence are leading the race to accurately predict peptide binding affinity. However, sequence-based methods do not face the same obstacles as LY2835219 structure-based methods, as they do not utilise structural information and tend to be classification based. While structure-based methods are not so far behind, it is foreseeable that these obstacles need to be addressed before the performance of structure-based methods can be on par with the sequence-based methods. Its polysaccharide capsule is an essential virulence factor. In fact, the capsule gene cluster appears to be among the few components of S. pneumoniae described as virulence factors that distinguishes the pathogen from its closest commensal relative S. mitis. Up to now over 90 capsular serotypes have been described that can be distinguished immunologically by antisera specific for the capsule polysaccharide, biochemically and genetically. All cps clusters are located at a specific region in the genome flanked by conserved sequences of the two genes dexA and aliA. The capsular serotype is also an important epidemiological marker for S. pneumoniae. Clones of genetically closely related strains can be characterized by multi locus sequence typing, i.e. comparative sequence analysis of seven house keeping genes, and thus individual strains are characterized by their allelic profile which constitutes the sequence type. Generally, isolates with the same ST share the same serotype, although serotype switch occurs occasionally due to horizontal gene transfer of capsular genes. S. pneumoniae is considered to be a human specific pathogen. Nevertheless pneumococci have been isolated from a variety of animals held in captivity, either as carriage isolates or causing a variety of disease symptoms. There is only one case where S. pneumoniae were demonstrated in wild animals. DNA sequencing using samples obtained from deceased wild chimpanzees from the Taı¨ National Park revealed genes encoding typical S. pneumoniae proteins such as the major autolysin LytA, pneumolysin Ply, and the penicillin binding protein 26. Moreover, MLST analysis identified two new clones that have not been found within the human population including workers on the chimpanzee project.