(Q48404914)

English

Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface

scientific article published in April 2007

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface (English)

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

author name string

Donghong Min

1

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Hongzhi Li

2

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Guohui Li

3

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Ryan Bitetti-Putzer

4

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Wei Yang

5

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

language of work or name

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publication date

1 April 2007

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

126

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Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

14

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

144109

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

Enhancing the accuracy, the efficiency and the scope of free energy simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Nonequilibrium Equality for Free Energy Differences

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Optimal estimates of free energies from multistate nonequilibrium work data.

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Replica exchange with solute tempering: a method for sampling biological systems in explicit water

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Conformational sampling via a self-regulating effective energy surface.

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Alchemical free energy calculations and multiple conformational substates

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Temperature weighted histogram analysis method, replica exchange, and transition paths.

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Escaping free-energy minima

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

The Development of Replica-Exchange-Based Free-Energy Methods

1 reference

https://api.crossref.org/works/10.1063%2F1.2715950

21 January 2018

Identifiers

10.1063/1.2715950

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

physics/0605005

1 reference

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

http://europepmc.org/abstract/MED/17444703

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