Literature DB >> 11006542

Computational enzymology.

T C Bruice1, K Kahn.   

Abstract

Recent advances in computational methods and the availability of fast, affordable computers have made the modeling of enzymatic reactions practical. The remaining challenges include achieving the accuracy level at which thermodynamic parameters and kinetic constants for different substrates, mutant enzymes, or in the presence of allosteric effectors can be predicted quantitatively.

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Year:  2000        PMID: 11006542     DOI: 10.1016/s1367-5931(00)00129-0

Source DB:  PubMed          Journal:  Curr Opin Chem Biol        ISSN: 1367-5931            Impact factor:   8.822


  3 in total

1.  How an enzyme surmounts the activation energy barrier.

Authors:  Richard L Schowen
Journal:  Proc Natl Acad Sci U S A       Date:  2003-10-06       Impact factor: 11.205

2.  Model and molecular dynamic simulations of active and inactive endo-beta-1,4-mannanase in tomato fruit.

Authors:  Jiahuang Li; J Derek Bewley; Zichun Hua; Weijuan Zheng; Aoxue Wang
Journal:  Protein J       Date:  2008-09       Impact factor: 2.371

Review 3.  Biological applications of hybrid quantum mechanics/molecular mechanics calculation.

Authors:  Jiyoung Kang; Yohsuke Hagiwara; Masaru Tateno
Journal:  J Biomed Biotechnol       Date:  2012-03-28
  3 in total

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