Concepedia
Nature Chemistry · 2023 · 41 citations · 46 references
Open access
Life SciencesBiochemistryChemistryCatalysisEnzyme MechanismAddition ReactionsCatalytic MechanismsEnzyme CatalysisEnzyme KineticsCycloaddition Reactions
46
Comparison of simple potential functions for simulating liquid water
William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations
Natural Sciences, Chemistry, Physics +17
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
[20] Processing of X-ray diffraction data collected in oscillation mode
Zbyszek Otwinowski, W. Minor · Methods in enzymology on CD-ROM/Methods in enzymology · 1997 · 33.6K citations
Natural Sciences, Materials Science, Physics +12
<i>Coot</i>: model-building tools for molecular graphics
Paul Emsley, Kevin Cowtan · Acta Crystallographica Section D Biological Crystallography · 2004 · 31.4K citations · Full text
Life Sciences, Bioinformatics, Biology +17
<i>XDS</i>
Wolfgang Kabsch · Acta Crystallographica Section D Biological Crystallography · 2010 · 16.9K citations · Full text
Computing, Computer Science, Computational Geometry +13