Brian K. Shoichet

According to our database, Brian K. Shoichet authored at least 11 papers between 2005 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.

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

J. Chem. Inf. Model., 2024

2021

Property-Unmatched Decoys in Docking Benchmarks.

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

J. Chem. Inf. Model., 2021

Ligand Strain Energy in Large Library Docking.

Shuo Gu, Matthew S. Smith, Ying Yang, John J. Irwin, Brian K. Shoichet

J. Chem. Inf. Model., 2021

2016

Structure-based discovery of opioid analgesics with reduced side effects.

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

Nat., 2016

2015

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65.

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

Nat., 2015

2014

Prediction of Substrates for Glutathione Transferases by Covalent Docking.

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

J. Chem. Inf. Model., 2014

2011

Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions.

Hao Fan, Dina Schneidman-Duhovny, John J. Irwin, Guang Qiang Dong, Brian K. Shoichet, Andrej Sali

J. Chem. Inf. Model., 2011

2010

Rapid Context-Dependent Ligand Desolvation in Molecular Docking.

Michael M. Mysinger, Brian K. Shoichet

J. Chem. Inf. Model., 2010

2009

Molecular Docking Screens Using Comparative Models of Proteins.

Hao Fan, John J. Irwin, Benjamin M. Webb, Gerhard Klebe, Brian K. Shoichet, Andrej Sali

J. Chem. Inf. Model., 2009

2008

Quantifying the Relationships among Drug Classes.

Jérôme Hert, Michael J. Keiser, John J. Irwin, Tudor I. Oprea, Brian K. Shoichet

J. Chem. Inf. Model., 2008

2005

ZINC - A Free Database of Commercially Available Compounds for Virtual Screening.

John J. Irwin, Brian K. Shoichet

J. Chem. Inf. Model., 2005