Proteins specificity, statistical mechanics

N 065 "Statistical Mechanical Treatment of Protein Conformation. 4. A Four-State Model for Specific-Sequence Copolymers of Amino Acids"... 

Janin J (1996) Quantifying biological specificity the statistical mechanics of molecular recognition, Proteins, 25(4) 438 145... 

The first approach to simulation of protein thermophilic adaptation is to start from a purely statistical-mechanical analysis of protein thermostability. A specific Monte-Carlo procedure [the... 

As in the association of two proteins, the problem of finding the specific mode of packing due to direct interactions is not a statistical mechanical problem. Knowing the surfaces of the monomers, we can tell by inspection which is the most probable mode of packing. For many subunits, the problem is very much like fitting the pieces into a jigsaw puzzle. 

New data on the specificity and mechanism of action of porcine pepsin are presented, including statistical analysis of protein cleavage by the enzyme, kinetics of synthetic substrates, enzyme inhibition and activation, kinetics of transpeptidation reaction, and 0 exchange studies. 

The specification development process is a data-driven activity that requires a validated analytical method. The levels of data needed include assay precision, replicate process results (process precision), and real-time stability profiles. A statistical analysis of these data is critical in setting a realistic specification. Most often, aggregation and fragmentation degradation mechanisms are common to protein and peptide therapeutics. Therefore, the SE-HPLC method provides a critical quality parameter that would need to be controlled by a specification limit. 

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