+++Journal of Computational Chemistry Special Issue

[DmitryK]

Уважаемые коллеги! Помогите пожалуйста с работами:

1) Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple
free energy differences from a single simulation
Authors: Clara D. Christ, Wilfred F. Van Gunsteren
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1664–1679, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21325

2) Unorthodox uses of Bennett's acceptance ratio method
Authors: Gerhard Konig, Stefan Bruckner, Stefan Boresch
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1712–1718, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21255

3) Absolute free energies estimated by combining precalculated molecular fragment libraries
Authors: Xin Zhang, Artem B. Mamonov, Daniel M. Zuckerman
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1680–1691, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21337

4) Dynamics free energy simulation methods
Authors: Jennifer L. Knight, Charles L. Brooks III
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1692–1700, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21295

5) Efficient extraction of free energy profiles from nonequilibrium experiments
Authors: Harald Oberhofer, Christoph Dellago
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1726–1736, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21290

6) Using multistate free energy techniques to improve
the efficiency of replica exchange accelerated molecular dynamics
Authors: Mikolai Fajer, Robert V. Swift, J. Andrew McCammon
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1719–1725, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21285

7) Some recent techniques for free energy calculations
Authors: Eric Vanden-Eijnden
Journal of Computational Chemistry Special Issue: Free Energy Simulations: Methods and Applications
Volume 30, Issue 11, pages 1737–1747, August 2009

DOI:

http://dx.doi.org/10.1002/jcc.21332

Efficiency of alchemical free energy simulations.
I. A practical comparison of the exponential formula,
thermodynamic integration, and Bennett's acceptance ratio method
Authors: Stefan Bruckner, Stefan Boresch
Journal of Computational Chemistry Volume 32, Issue 7, pages 1303–1319, May 2011

DOI:

http://dx.doi.org/10.1002/jcc.21713

9) Non-Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules
Authors: Gerhard Konig, Stefan Boresch
Journal of Computational Chemistry Volume 32, Issue 6, pages 1082–1090, 30 April 2011

DOI:

http://dx.doi.org/10.1002/jcc.21687

[amik]

Нормально тему называйте - по названию издательств или журналов. Тематика Ваших работ не информативна и не сильно помогает.
На будущее лучше разделить свой запрос на части
- Journal of Computational Physics
- Molecular Physics

[octopus]

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[DmitryK]

Большое спасибо!!!

[sylvio]

5-9

[amik]

Коллеги, блин, смотрите на даты запроса У вас доступ есть, а топикстартеру больше месяца было все-равно, будут у него статьи или нет

[sylvio]

дык DmitryK же 3-го мая ответил.

[amik]

Дык первый запрос был от 28 марта

[DmitryK]

Большое спасибо за статьи!!! - Даже не ожидал, что они найдутся)