Steered molecular dynamics and mechanical functions of proteins.

B Isralewitz, M Gao, K Schulten

Journal: Current opinion in structural biology 2001;11(2):224-30

PMID: 11297932

Full Text on Elsevier Science View on PubMed

Abstract

Atomic 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.

Address: Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.

DOI: 10.1016/s0959-440x(00)00194-9

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MeSH Terms: Avidin, Biotin, Computer Simulation, Connectin, Fibronectins, Immunoglobulins, Microscopy, Atomic Force, Muscle Proteins, Protein Kinases, Protein Structure, Tertiary, Proteins