(Q45967368)

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On the calculation of puckering free energy surfaces.

scientific article

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

On the calculation of puckering free energy surfaces. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

1

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

author name string

E Autieri

2

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

F Pederiva

3

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

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publication date

1 June 2009

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

130

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

22

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

225102

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

Escaping free-energy minima

1 reference

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21 January 2018

B3LYP/6-311++G** study of alpha- and beta-D-glucopyranose and 1,5-anhydro-D-glucitol: 4C1 and 1C4 chairs, (3,O)B and B(3,O) boats, and skew-boat conformations

1 reference

https://api.crossref.org/works/10.1063%2F1.3147642

21 January 2018

The conformational free energy landscape of beta-D-glucopyranose. Implications for substrate preactivation in beta-glucoside hydrolases

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Exploring the protein G helix free-energy surface by solute tempering metadynamics.

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21 January 2018

GROMACS: A message-passing parallel molecular dynamics implementation

1 reference

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21 January 2018

GROMACS 3.0: a package for molecular simulation and trajectory analysis

1 reference

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Equilibrium Free Energies from Nonequilibrium Metadynamics

1 reference

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Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

1 reference

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21 January 2018

Identifiers

10.1063/1.3147642

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

1 reference

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/19530791

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