The huge size of kinesin structures usually prevents classical and quantum molecular dynamics simulation to investigate their energy transduction mechanism. Coarse grained models (Gaussian and Anisotropic Network Model) have been recently proposed to address the possible biological function of macromolecules. Though lacking a detailed description of the chemical specificity of amino acids, these models have been shown to quantitatively reproduce the B-factors profile contained in solved X-rays crystal structures and provide clues on the possible large scale motions of protein subunits. We will discuss the application of GNM and ANM to the analysis of the human kinesin monomer, the kinesin dimer from rattus norvegicus and the possible interaction with microtubules.
Application of coarse grained models to the analysis of kinesin structures
LATTANZI, GIANLUCA
2003-01-01
Abstract
The huge size of kinesin structures usually prevents classical and quantum molecular dynamics simulation to investigate their energy transduction mechanism. Coarse grained models (Gaussian and Anisotropic Network Model) have been recently proposed to address the possible biological function of macromolecules. Though lacking a detailed description of the chemical specificity of amino acids, these models have been shown to quantitatively reproduce the B-factors profile contained in solved X-rays crystal structures and provide clues on the possible large scale motions of protein subunits. We will discuss the application of GNM and ANM to the analysis of the human kinesin monomer, the kinesin dimer from rattus norvegicus and the possible interaction with microtubules.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
