Inhibition of lysozyme aggregation and cellular toxicity by organic acids at acidic and physiological pH conditions

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

Computing, Bioinformatics, Visualization +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

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart, Yannick Djoumbou-Feunang, An Chi Guo et al. · Nucleic Acids Research · 2017 · 8.8K citations · Full text

Medicine, Pharmacology, Drug Information +13

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

Roman A. Laskowski, Mark B. Swindells · Journal of Chemical Information and Modeling · 2011 · 6.5K citations

Life Sciences, Bioinformatics, Medicinal Chemistry +17

The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins

Dima Kozakov, Laurie E. Grove, David R. Hall et al. · Nature Protocols · 2015 · 673 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +16