Concepedia

Exploring the interaction between “site-markers, aspirin and esterase-like activity” ternary systems on the human serum albumin: direct evidence for modulation of catalytic activity of the protein in different inhibition modes

Sajjad Esmaeili, Masomeh Almasi, Asad Vaisi‐Raygani, Sajad Moradi, Mohammad Reza Ashrafi-Kooshk, Mohsen Shahlaei, Reza Khodarahmi‬

Journal of the Iranian Chemical Society · 2017 · 10 citations · 56 references

DOI

Concepts

References

56

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

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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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Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text

, , +17

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations

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