Concepedia

The SIRAH-CoV-2 Initiative: A Coarse-Grained Simulations' Dataset of the SARS-CoV-2 Proteome

Pablo Garay, Exequiel Barrera, Florencia Klein, Matías Machado, Martín Sóñora, Sergio Pantano

Frontiers in Medical Technology · 2021 · 15 citations · 25 references

DOIFull text

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Concepts

Abstract

DATA REPORT article Front. Med. Technol., 15 February 2021Sec. Pharmaceutical Innovation Volume 3 - 2021 | https://doi.org/10.3389/fmedt.2021.644039

References

25

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13

The FAIR Guiding Principles for scientific data management and stewardship

Mark D. Wilkinson, Michel Dumontier, IJsbrand Jan Aalbersberg et al. · Scientific Data · 2016 · 17.8K citations · Full text

, , +17