Concepedia
Journal of Molecular Liquids · 2021 · 38 citations · 43 references
Hsa DetectionChemical ProbeMolecular ImagingSingle-molecule DetectionBiophysicsAtomic Fluorescence Spectroscopy
43
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 23.9K citations · Full text
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
THE ATTRACTIONS OF PROTEINS FOR SMALL MOLECULES AND IONS
George Scatchard · Annals of the New York Academy of Sciences · 1949 · 19.9K citations
Protein Chemistry, Protein Function, Protein Assembly +5
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.4K citations
Engineering, Physics, Natural Sciences +6
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.5K citations
Mathematical Programming, Engineering, Gaussian Basis Sets +20