Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions (Q36960616)

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scientific article published on April 2013

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English	Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions	scientific article published on April 2013

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PMC publication ID

3694627

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17 August 2017

title

Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions (English)

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Europe PubMed Central

PMC publication ID

3694627

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17 August 2017

main subject

energy landscape

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author

Simon Bernèche

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Simon Bernèche

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4

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Wojciech Wojtas-Niziurski

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1

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Europe PubMed Central

PMC publication ID

3694627

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17 August 2017

Yilin Meng

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2

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Europe PubMed Central

PMC publication ID

3694627

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17 August 2017

Benoit Roux

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3

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Europe PubMed Central

PMC publication ID

3694627

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17 August 2017

publication date

1 April 2013

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3694627

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17 August 2017

published in

Journal of Chemical Theory and Computation

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Europe PubMed Central

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3694627

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17 August 2017

volume

9

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Europe PubMed Central

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3694627

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17 August 2017

issue

4

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3694627

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17 August 2017

page(s)

1885-1895

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PMC publication ID

3694627

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17 August 2017

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Convergence and error estimation in free energy calculations using the weighted histogram analysis method

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29 September 2017

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The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity

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Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

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Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

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Single-sweep methods for free energy calculations

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The potassium permeability of a giant nerve fibre

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Identifiers

DOI

10.1021/CT300978B

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stated in

Europe PubMed Central

PMC publication ID

3694627

retrieved

17 August 2017

PMC publication ID

3694627

1 reference

stated in

Europe PubMed Central

PMC publication ID

3694627

retrieved

17 August 2017

PubMed publication ID

23814508

1 reference

stated in

Europe PubMed Central

PMC publication ID

3694627

retrieved

17 August 2017

 

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