CavityPlus 2022 Update: An Integrated Platform for Comprehensive Protein Cavity Detection and Property Analyses with User-friendly Tools and Cavity Databases

Highly accurate protein structure prediction with AlphaFold

John Jumper, Alexander Pritzel, Tim Green et al. · Nature · 2021 · 45.2K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +11

Highly accurate protein structure prediction for the human proteome

Kathryn Tunyasuvunakool, Jonas Adler, Zachary Wu et al. · Nature · 2021 · 3.2K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +10

LigandScout:  3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Gerhard Wolber, Thierry Langer · Journal of Chemical Information and Modeling · 2004 · 2K citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database

Xia Wang, Yihang Shen, Shiwei Wang et al. · Nucleic Acids Research · 2017 · 1.6K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +11

Protein Data Bank: the single global archive for 3D macromolecular structure data

S.K. Burley, Helen M. Berman, Charmi Bhikadiya et al. · Nucleic Acids Research · 2018 · 1.2K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +13