Allosteric Drugs: The Interaction of Antitumor Compound MKT-077 with Human Hsp70 Chaperones

The PyMOL Molecular Graphics System

Warren L. DeLano · Medical Entomology and Zoology · 2002 · 18.1K citations

Life Sciences, Biology, Computational Biology +11

NMRPipe: A multidimensional spectral processing system based on UNIX pipes

Frank Delaglio, Stephan Grzesiek, Geerten W. Vuister et al. · Journal of Biomolecular NMR · 1995 · 16.3K citations

Computing, Computer Science, Computer Systems +14

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

The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Automatic atom type and bond type perception in molecular mechanical calculations

Junmei Wang, Wei Wang, Peter A. Kollman et al. · Journal of Molecular Graphics and Modelling · 2006 · 5.6K citations

Natural Sciences, Chemistry, Physics +13