Barry Isralewitz, Mu Gao, and Klaus Schulten.
Steered molecular dynamics and mechanical functions of proteins.
Current Opinion in Structural Biology, 11:224-230, 2001.
ISRA2001Atomic force microscopy of single molecules, steered molecular dynamics, and the theory of stochastic processes have established a new field that investigates mechanical functions of proteins such as ligand - receptor binding/unbinding and elasticity of muscle proteins during stretching. The combination of these methods yields information on the energy landscape that controls mechanical function and on the force bearing components of proteins, as well as on the underlying physical mechanisms.
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