Concepedia
Nature · 2022 · 73 citations · 37 references
Open access
37
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 · 37.1K citations · Full text
Pharmacy, Chemistry, Medicinal Chemistry +17
Features and development of <i>Coot</i>
Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 29.6K citations · Full text
Natural Sciences, Chemistry, Biomolecular Modeling +16
<i>PHENIX</i>: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 24.5K citations · Full text
Natural Sciences, Biophysics, Computational Biology +16
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
<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography
Vincent B. Chen, W.B. Arendall, Jeffrey J. Headd et al. · Acta Crystallographica Section D Biological Crystallography · 2009 · 14.7K citations · Full text
Life Sciences, Bioinformatics, Biophysics +17