A practical guide to large-scale dockingBrian J. Bender, Brian K. Shoichet, Stefan Gahbauer et al.|Nature Protocols|2021Cited by 540
Ligand discovery from a dopamine D3 receptor homology model and crystal structureJens Carlsson, Brian K. Shoichet, Ryan G. Coleman et al.|Nature Chemical Biology|2011Cited by 303
Proton Binding to Proteins: p <i>K</i> <sub>a</sub> Calculations with Explicit and Implicit Solvent ModelsThomas Simonson, David A. Case, Jens Carlsson|Journal of the American Chemical Society|2004Cited by 283
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against CoronavirusesAndreas Luttens, Jens Carlsson, Hjalmar Gullberg et al.|Journal of the American Chemical Society|2022Cited by 244
Structure-Based Discovery of A <sub>2A</sub> Adenosine Receptor LigandsJens Carlsson, Kenneth A. Jacobson, Lena S. Yoo et al.|Journal of Medicinal Chemistry|2010Cited by 222