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In silico enzyme modelling

Journal Article


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Abstract


  • The 2013 Nobel Prize in Chemistry went to Martin Karplus,

    Michael Levitt and Arieh Warshel for their pioneering work

    on computer modelling, specifically, the ‘development of

    multiscale models of complex chemical systems’ (1). This

    award not only recognises the critical contributions by

    the three laureates to the field of molecular simulations,

    but also underscores the broad impact that computer

    simulations have made in fields as diverse as chemistry,

    biophysics, enzymology and material sciences. This review

    will present an overview of computational enzymology, a

    rapidly maturing field where multiscale modelling plays a

    key role in deciphering enzymatic catalysis (2–4).

Authors


  •   Zhu, Xiao (external author)
  •   Yang, Yang (external author)
  •   Yu, Haibo

Publication Date


  • 2014

Citation


  • Zhu, X., Yang, Y. & Yu, H. (2014). In silico enzyme modelling. Australian Biochemist, 45 (2), 12-15.

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=3316&context=smhpapers

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/2298

Number Of Pages


  • 3

Start Page


  • 12

End Page


  • 15

Volume


  • 45

Issue


  • 2

Place Of Publication


  • Australia

Abstract


  • The 2013 Nobel Prize in Chemistry went to Martin Karplus,

    Michael Levitt and Arieh Warshel for their pioneering work

    on computer modelling, specifically, the ‘development of

    multiscale models of complex chemical systems’ (1). This

    award not only recognises the critical contributions by

    the three laureates to the field of molecular simulations,

    but also underscores the broad impact that computer

    simulations have made in fields as diverse as chemistry,

    biophysics, enzymology and material sciences. This review

    will present an overview of computational enzymology, a

    rapidly maturing field where multiscale modelling plays a

    key role in deciphering enzymatic catalysis (2–4).

Authors


  •   Zhu, Xiao (external author)
  •   Yang, Yang (external author)
  •   Yu, Haibo

Publication Date


  • 2014

Citation


  • Zhu, X., Yang, Y. & Yu, H. (2014). In silico enzyme modelling. Australian Biochemist, 45 (2), 12-15.

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=3316&context=smhpapers

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/2298

Number Of Pages


  • 3

Start Page


  • 12

End Page


  • 15

Volume


  • 45

Issue


  • 2

Place Of Publication


  • Australia