AlphaFold3 takes a step toward decoding molecular behavior and biological computation

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

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

Life Sciences, Biochemistry, Bioinformatics +10

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Josh Abramson, Jonas Adler, Jack Dunger et al. · Nature · 2024 · 13.8K citations · Full text

Life Sciences, Bioinformatics, Computational Biology +12

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

Jérôme Eberhardt, Diogo Santos‐Martins, Andreas F. Tillack et al. · Journal of Chemical Information and Modeling · 2021 · 6.7K citations · Full text

Pharmacy, Medicinal Chemistry, Computational Chemistry +15

Accurate prediction of protein structures and interactions using a three-track neural network

Minkyung Baek, Frank DiMaio, Ivan Anishchenko et al. · Science · 2021 · 5.7K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17