Literature DB >> 16895321

Computational approaches: reaction trajectories, structures, and atomic motions. Enzyme reactions and proficiency.

Thomas C Bruice1.   

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Year:  2006        PMID： 16895321     DOI： 10.1021/cr050283j

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  23 in total

1.  Binding free energy calculation with QM/MM hybrid methods for Abl-Kinase inhibitor.

Authors:  Kshatresh Dutta Dubey; Rajendra Prasad Ojha
Journal:  J Biol Phys       Date:  2010-09-02       Impact factor: 1.365

2.  Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9.

Authors:  Shenglong Wang; Po Hu; Yingkai Zhang
Journal:  J Phys Chem B       Date:  2007-03-22       Impact factor: 2.991

3.  Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: a DFT QM/MM study.

Authors:  Tuanjai Somboon; Matthew Paul Gleeson; Supa Hannongbua
Journal:  J Mol Model       Date:  2011-05-04       Impact factor: 1.810

4.  Mechanism of methanol oxidation by quinoprotein methanol dehydrogenase.

Authors:  Xiaodong Zhang; Swarnalatha Y Reddy; Thomas C Bruice
Journal:  Proc Natl Acad Sci U S A       Date:  2007-01-10       Impact factor: 11.205

Review 5.  Designing artificial enzymes by intuition and computation.

Authors:  Vikas Nanda; Ronald L Koder
Journal:  Nat Chem       Date:  2009-12-17       Impact factor: 24.427

6.  A mechanism for localized dynamics-driven affinity regulation of the binding of von Willebrand factor to platelet glycoprotein Ibα.

Authors:  Guangjian Liu; Ying Fang; Jianhua Wu
Journal:  J Biol Chem       Date:  2013-07-31       Impact factor: 5.157

7.  Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.

Authors:  Xin Zhang; Ruibo Wu; Lingchun Song; Yuchun Lin; Menghai Lin; Zexing Cao; Wei Wu; Yirong Mo
Journal:  J Comput Chem       Date:  2009-11-30       Impact factor: 3.376

8.  Remote mutations and active site dynamics correlate with catalytic properties of purine nucleoside phosphorylase.

Authors:  Suwipa Saen-Oon; Mahmoud Ghanem; Vern L Schramm; Steven D Schwartz
Journal:  Biophys J       Date:  2008-01-30       Impact factor: 4.033

Review 9.  Conformational changes and catalysis by alcohol dehydrogenase.

Authors:  Bryce V Plapp
Journal:  Arch Biochem Biophys       Date:  2009-07-05       Impact factor: 4.013

10.  Quantitative structural insight into human variegate porphyria disease.

Authors:  Baifan Wang; Xin Wen; Xiaohong Qin; Zhifang Wang; Ying Tan; Yuequan Shen; Zhen Xi
Journal:  J Biol Chem       Date:  2013-03-06       Impact factor: 5.157
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