Can the stability of protein mutants be predicted by free energy calculations?

doi:10.1093/protein/6.3.289

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Article

Can the stability of protein mutants be predicted by free energy calculations?

Protein engineering - 1 Apr 1993

Shi Y Y, Mark A E, Wang C X, Huang F, Berendsen H J, van Gunsteren W F

Abstract excerpt

The use of free energy simulation techniques in the study of protein stability is critically evaluated. Results from two simulations of the thermostability mutation Asn218 to Ser218 in Subtilisin are presented. It is shown that components of the free energy change can be highly sensitive to the c...

Topics

Asparagine
Computer Simulation
Enzyme Stability
Models, Chemical
Mutation
Proteins
Serine
Subtilisins
Thermodynamics

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