(Q53551886)

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Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface. (English)

1 reference

Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

quantum mechanics

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3

1 reference

Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

author name string

Hao Hu

1

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

Zhenyu Lu

2

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

Steven K Burger

4

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

Weitao Yang

5

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

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publication date

1 January 2008

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

Journal of Chemical Physics

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15 May 2018

http://europepmc.org/abstract/MED/18205486

128

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15 May 2018

http://europepmc.org/abstract/MED/18205486

034105

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

3

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Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

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Direct determination of reaction paths and stationary points on potential of mean force surfaces

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MP2 energy evaluation by direct methods

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Identifiers

10.1063/1.2816557

1 reference

Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

1 reference

Europe PubMed Central

15 May 2018

http://europepmc.org/abstract/MED/18205486

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