Molecular dynamics and protein function

DOI Web Site 被引用文献30件
  • M. Karplus
    Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138; Laboratoire de Chimie Biophysique, Institut de Science et d'Ingénierie Supramoléculaires, Université Louis Pasteur, 67000 Strasbourg, France; Howard Hughes Medical Institute and Departments of Molecular and Cell Biology and Chemistry, University of California, Berkeley, CA 94720-3202; and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720
  • J. Kuriyan
    Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138; Laboratoire de Chimie Biophysique, Institut de Science et d'Ingénierie Supramoléculaires, Université Louis Pasteur, 67000 Strasbourg, France; Howard Hughes Medical Institute and Departments of Molecular and Cell Biology and Chemistry, University of California, Berkeley, CA 94720-3202; and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

書誌事項

公開日
2005-05-03
DOI
  • 10.1073/pnas.0408930102
公開者
Proceedings of the National Academy of Sciences

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説明

<jats:p>A fundamental appreciation for how biological macromolecules work requires knowledge of structure and dynamics. Molecular dynamics simulations provide powerful tools for the exploration of the conformational energy landscape accessible to these molecules, and the rapid increase in computational power coupled with improvements in methodology makes this an exciting time for the application of simulation to structural biology. In this Perspective we survey two areas, protein folding and enzymatic catalysis, in which simulations have contributed to a general understanding of mechanism. We also describe results for the F<jats:sub>1</jats:sub>ATPase molecular motor and the Src family of signaling proteins as examples of applications of simulations to specific biological systems.</jats:p>

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