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Simulation systems of: "A Round Robin Approach Provides a Detailed Assessment of Biomolecular Small-Angle Scattering Data Reproducibility and Yields Consensus Curves for Benchmarking"

Authors: Chatzimagas, Leonie; Hub, Jochen S.;

Simulation systems of: "A Round Robin Approach Provides a Detailed Assessment of Biomolecular Small-Angle Scattering Data Reproducibility and Yields Consensus Curves for Benchmarking"

Abstract

MD simulation systems used for explicit-solvent SAXS/SANS calculations presented in: A Round Robin Approach Provides a Detailed Assessment of Biomolecular Small-Angle Scattering Data Reproducibility and Yields Consensus Curves for Benchmarking Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas E Cleveland, Nathan Cowieson, Ben Crossett, Anthony P Duff, Daniel Franke, Frank Gabel, Richard E Gillilan and Melissa Graewert Submitted to Acta Crystallographica Section D, 2022 Simulations were designed and carried out by Leonie Chatzimagas and supervised by Jochen S. Hub Saarland University, Theoretical Physics and Center for Biophyscis Simulation systems are provided for GROMACS. To carry out the explicit-solvent SAXS/SANS calculation, use GROMACS-SWAXS: Source code: https://gitlab.com/cbjh/gromacs-swaxs Documentation: https://cbjh.gitlab.io/gromacs-swaxs-docs/

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Keywords

WAXSiS, Small-angle scattering, Explicit-solvent SAXS/SANS calculations

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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