Brian K. Shoichet

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 4

Top Topics

Top Venues

J. Chem. Inf. Model.

Publications

Matthew S. Smith, Ian S. Knight, Rian C. Kormos, Joseph G. Pepe, Peter Kunach, Marc I. Diamond, Sarah H. Shahmoradian, John J. Irwin, William F. Degrado, Brian K. Shoichet
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK. J. Chem. Inf. Model. 64 (2) (2024)
Reed M. Stein, Ying Yang, Trent E. Balius, Matt J. O'meara, Jiankun Lyu, Jennifer Young, Khanh G. Tang, Brian K. Shoichet, John J. Irwin
Property-Unmatched Decoys in Docking Benchmarks. J. Chem. Inf. Model. 61 (2) (2021)
Shuo Gu, Matthew S. Smith, Ying Yang, John J. Irwin, Brian K. Shoichet
Ligand Strain Energy in Large Library Docking. J. Chem. Inf. Model. 61 (9) (2021)
Aashish Manglik, Henry Lin, Dipendra K. Aryal, John D. McCorvy, Daniela Dengler, Gregory Corder, Anat Levit, Ralf C. Kling, Viachaslau Bernat, Harald Hübner, Xi-Ping Huang, Maria F. Sassano, Patrick M. Giguère, Stefan Löber, Da Duan, Grégory Scherrer, Brian K. Kobilka, Peter Gmeiner, Bryan L. Roth, Brian K. Shoichet
Structure-based discovery of opioid analgesics with reduced side effects. Nat. 537 (7619) (2016)
Xi-Ping Huang, Joel Karpiak, Wesley K. Kroeze, Hu Zhu, Xin Chen, Sheryl S. Moy, Kara A. Saddoris, Viktoriya D. Nikolova, Martilias S. Farrell, Sheng Wang, Thomas J. Mangano, Deepak A. Deshpande, Alice Jiang, Raymond B. Penn, Jian Jin, Beverly H. Koller, Terry Kenakin, Brian K. Shoichet, Bryan L. Roth
Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65. Nat. 527 (7579) (2015)
Guang Qiang Dong, Sara Calhoun, Hao Fan, Chakrapani Kalyanaraman, Megan C. Branch, Susan T. Mashiyama, Nir London, Matthew P. Jacobson, Patricia C. Babbitt, Brian K. Shoichet, Richard N. Armstrong, Andrej Sali
Prediction of Substrates for Glutathione Transferases by Covalent Docking. J. Chem. Inf. Model. 54 (6) (2014)
Hao Fan, Dina Schneidman-Duhovny, John J. Irwin, Guang Qiang Dong, Brian K. Shoichet, Andrej Sali
Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions. J. Chem. Inf. Model. 51 (12) (2011)
Michael M. Mysinger, Brian K. Shoichet
Rapid Context-Dependent Ligand Desolvation in Molecular Docking. J. Chem. Inf. Model. 50 (9) (2010)
Hao Fan, John J. Irwin, Benjamin M. Webb, Gerhard Klebe, Brian K. Shoichet, Andrej Sali
Molecular Docking Screens Using Comparative Models of Proteins. J. Chem. Inf. Model. 49 (11) (2009)
Jérôme Hert, Michael J. Keiser, John J. Irwin, Tudor I. Oprea, Brian K. Shoichet
Quantifying the Relationships among Drug Classes. J. Chem. Inf. Model. 48 (4) (2008)
John J. Irwin, Brian K. Shoichet
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening. J. Chem. Inf. Model. 45 (1) (2005)