David S. Goodsell

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

Pharmacy, Bioinformatics, Medicinal Chemistry +13

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

Life Sciences, Bioinformatics, Molecular Biology +17

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

Stefano Forli, Ruth Huey, Michael E. Pique et al. · Nature Protocols · 2016 · 2.7K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +16

A semiempirical free energy force field with charge‐based desolvation

Ruth Huey, Garrett M. Morris, Arthur J. Olson et al. · Journal of Computational Chemistry · 2007 · 2.2K citations · Full text

Natural Sciences, Bioinformatics, Chemistry +17

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

S.K. Burley, Charmi Bhikadiya, Chunxiao Bi et al. · Nucleic Acids Research · 2020 · 1.6K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +10