SCORE program

Docking poses generated by AutoDock, GOLD, and FlexX can be easily pooled and/or rescored with SCORE (21), the three scoring functions available in the X-SCORE program (22), and/or user-defined scoring functions. This can be achieved via simple scripts that extract the relevant information from the various output files (an example of such a script is available from the authors upon request). When the results are saved in a format readable to SYBYL (i.e., tab-separated columns), the energy scores can be listed and imported into a SYBYL spreadsheet ... 

Candidate peptide sequences from the mixture are later identified using a computerized database search algorithm (e.g., SEQUEST) [14] and validated using the STATQUEST probabilistic scoring program [15]. 

Several computer-based risk scoring programs are available. One of them is the UKPDS Risk Engine (www.dtu.ox.ac.uk), which has been developed at Oxford University. It can be used to estimate the future risk of the type 2 diabetic patient to develop ischaemic heart disease or stroke. A CVD risk profile at annual intervals may be a useful tool for the repetitive motivating dialogues and prioritization of risk marker interventions. 

---