(Q46442211)

English

Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methods

scientific article published in March 2005

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scholarly article

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methods (English)

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Gerardo Andrés Cisneros

1

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

author name string

Haiyan Liu

2

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Zhenyu Lu

3

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Weitao Yang

4

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

language of work or name

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publication date

1 March 2005

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Journal of Chemical Physics

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

122

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

114502

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

11

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Molecular dynamics simulations of biological reactions

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Quantum mechanical methods for enzyme kinetics

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

How enzymes work: analysis by modern rate theory and computer simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

1 reference

https://api.crossref.org/works/10.1063%2F1.1860560

21 January 2018

Identifiers

10.1063/1.1860560

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

1 reference

Europe PubMed Central

22 December 2017

http://europepmc.org/abstract/MED/15836224

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