Efficient Ensemble Refinement by Reweighting-Reference-Cited by-同舟云学术

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Efficient Ensemble Refinement by Reweighting

Published:2019-04-02 Issue:5 Volume:15 Page:3390-3401
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Köfinger Jürgen¹^ORCID,Stelzl Lukas S.¹^ORCID,Reuter Klaus²,Allande César²,Reichel Katrin¹,Hummer Gerhard¹³^ORCID

Affiliation:

1. Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Straße 3, 60438 Frankfurt am Main, Germany

2. Max Planck Computing and Data Facility, Gießenbachstr. 2, 85748 Garching, Germany

3. Institute for Biophysics, Goethe University, 60438 Frankfurt am Main, Germany

Funder

Max-Planck-Gesellschaft

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01231

Reference66 articles.

1. Integrative Structural Biology

2. Biophysical experiments and biomolecular simulations: A perfect match?

3. Principles of protein structural ensemble determination

4. Inferential Structure Determination

5. Structure Determination by NMR: The Modeling of NMR Parameters as Ensemble Averages

Cited by 71 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The ribosome lowers the entropic penalty of protein folding;Nature;2024-08-07

2. Bayesian reweighting of biomolecular structural ensembles using heterogeneous cryo-EM maps with the cryoENsemble method;Scientific Reports;2024-08-05

3. Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning;The Journal of Physical Chemistry Letters;2024-08-02

4. Optimizing Force Fields with Experimental Data Using Ensemble Reweighting and Potential Contrasting;The Journal of Physical Chemistry B;2024-07-05

5. Encoding prior knowledge in ensemble refinement;The Journal of Chemical Physics;2024-03-21

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