(Q51919213)

English

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

scientific article published in March 2007

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface. (English)

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

author name string

Hongzhi Li

1

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

Wei Yang

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

language of work or name

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publication date

1 March 2007

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

126

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

11

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

114104

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

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1 reference

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1 reference

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Conformational sampling via a self-regulating effective energy surface.

1 reference

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1 reference

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Alchemical free energy calculations and multiple conformational substates

1 reference

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

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Ab initio replica-exchange Monte Carlo method for cluster studies

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Identifiers

10.1063/1.2710790

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17381193

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