Concepedia

Molecular determinants of binding of non-oxime bispyridinium nerve agent antidote compounds to the adult muscle nAChR

Max Epstein, Karan Bali, Thomas J. Piggot, A. Christopher Green, Christopher M. Timperley, Mike Bird, John E.H. Tattersall, Isabel Bermúdez, Philip C. Biggin

Toxicology Letters · 2021 · 13 citations · 31 references

DOI

Concepts

References

31

MUSCLE: multiple sequence alignment with high accuracy and high throughput

R. C. Edgar · Nucleic Acids Research · 2004 · 46.5K citations · Full text

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Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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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

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

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