Concepedia
International Journal of Molecular Sciences · 2022 · 27 citations · 52 references
Open access
A significant improvement in NAR solubility was associated with an increase in its biological activity.
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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 · 35.1K citations · Full text
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 · 29.8K citations · Full text
Numerical Analysis, Engineering, Electrostatic Energies +18
A new and rapid colorimetric determination of acetylcholinesterase activity
George L. Ellman, K. Diane Courtney, Valentino Andres et al. · Biochemical Pharmacology · 1961 · 26.6K citations
Biochemistry, Acetylcholinesterase Activity, Medicine +4
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 25K citations · Full text
Massively-parallel Computing, Engineering, Computational Biology +12
Antioxidant activity applying an improved ABTS radical cation decolorization assay
Roberta Re, Nicoletta Pellegrini, Anna R. Proteggente et al. · Free Radical Biology and Medicine · 1999 · 24.9K citations
Biochemistry, Medicine, Radical (Chemistry) +6