Knowledge-based prediction

Barton G J 1998. Protein Sequence Aligrunent Techniques. Acta Crystallographica 054 1139-1146. Blundell T L, B L Sibanda, M J E Sterbnerg and J M Thornton. Knowledge-based Prediction of Prote Structures and the Design of Novel Molecules. Nature 326 347-352. 

M J1990. Calculation of Conformational Ensembles from Potentials of Mean Force. An Approach o the Knowledge-Based Prediction of Local Structures in Globular Proteins. Journal of Molecular Siology 213 859-883. 

TL Blundell, BL Sibanda, MJE Sternberg, JM Thornton. Knowledge-based prediction of protein structures and the design of novel molecules. Nature 326 347-352, 1987. 

MI Sippl. Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures m globular proteins. I Mol Biol 213 859-883, 1990. 

Knowledge-Based Prediction of Protein Structures and the Design of Novel Molecules. 

Database of more than 8500 drugs with their biological activities and other data. Knowledge-based prediction of the type of pharmacological activity a structure will exhibit. PCs. 

Ghose, A.K., Herbertz, T., Pippin, DA., Salvino, J.M., and Mallamo, J.P. (2008) Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery. J.Med. Chem. 51, 5149-71. 

One major reason for the currently not satisfying performance of knowledge-based prediction methods is the obvious deficiency in the currently used empirical scoring functions. As has been demonstrated there are many methods to improve the capabilities of the potentials by calibrating parameters or weightings of the scoring system [149]. This hints to clear deficiencies of the available potentials. As more data become available the database-derived potential can be expected to become more accurate. 

T. L. Blundell, B, L. Sibanda, M. J. E. Sternberg, and J. M. Thornton, Nature (London), i26, 347 (1987). Knowledge-Based Prediction of Protein Structures and the Design of Novel Molecules. 

Potentials of Mean Force. An Approach to the Knowledge-Based Prediction of Local Structures in Globular Proteins. 

KNOWLEDGE-BASED PREDICTION OF PROTEIN TERTIARY STRUCTURE... 

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