Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations (Q37411712)

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scientific article published on September 2009

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English	Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations	scientific article published on September 2009

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Active site cysteine is protonated in the PAD4 Michaelis complex: evidence from Born-Oppenheimer ab initio QM/MM molecular dynamics simulations (English)

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

author name string

Zhihong Ke

1

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Yanzi Zhou

2

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Po Hu

3

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Shenglong Wang

4

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Daiqian Xie

5

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Yingkai Zhang

6

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Europe PubMed Central

PMC publication ID

20 August 2017

language of work or name

0 references

publication date

1 September 2009

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Europe PubMed Central

PMC publication ID

20 August 2017

number of pages

9

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based on heuristic

inferred from page(s)

Journal of Physical Chemistry B

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Europe PubMed Central

PMC publication ID

20 August 2017

113

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Europe PubMed Central

PMC publication ID

20 August 2017

38

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

12750-12758

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

QM/MM methods for biomolecular systems

1 reference

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Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods

1 reference

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How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulations

1 reference

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Molecular dynamics simulations of the catalytic pathway of a cysteine protease: a combined QM/MM study of human cathepsin K.

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Protein arginine deiminase 4: evidence for a reverse protonation mechanism

1 reference

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

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Identifiers

10.1021/JP903173C

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

ResearchGate publication ID

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