Acetylcholinesterase inhibitory activity of a naturally occurring peptide isolated from Boana pulchella (Anura: Hylidae) and its analogs

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

Natural Sciences, Chemistry, Physics +17

A new and rapid colorimetric determination of acetylcholinesterase activity

George L. Ellman, K. Diane Courtney, Valentino Andres et al. · Biochemical Pharmacology · 1961 · 26.9K citations

Life Sciences, Biochemistry, Pharmacology +14

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James Maier, Carmenza Martinez, Koushik Kasavajhala et al. · Journal of Chemical Theory and Computation · 2015 · 11.1K citations

Natural Sciences, Biochemistry, Biophysics +17

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

Romelia Salomón–Ferrer, Andreas W. Götz, Duncan Poole et al. · Journal of Chemical Theory and Computation · 2013 · 3.6K citations

Natural Sciences, Chemistry, Physics +16

HADDOCK:  A Protein−Protein Docking Approach Based on Biochemical or Biophysical Information

Cyril Dominguez, Rolf Boelens, Alexandre M. J. J. Bonvin · Journal of the American Chemical Society · 2003 · 3.2K citations · Full text

Life Sciences, Biochemistry, Biophysics +16