Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface (Q48404914)

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scientific article published in April 2007

Language	Label	Description	Also known as
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

1 reference

Europe PubMed Central

PubMed publication ID

11 February 2018

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

126

1 reference

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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