Virtual screening of chemical libraries

gan Shoichet, Brian K.
Cyhoeddwyd 2004

Screening in a spirit haunted world

gan Shoichet, Brian K.
Cyhoeddwyd 2006

Exploiting Ordered Waters in Molecular Docking

gan Huang, Niu, Shoichet, Brian K.
Cyhoeddwyd 2008

Engineering a model protein cavity to catalyze the Kemp elimination

gan Merski, Matthew, Shoichet, Brian K.
Cyhoeddwyd 2012

The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand Recognition

gan Merski, Matthew, Shoichet, Brian K.
Cyhoeddwyd 2013

Molecular docking and ligand specificity in fragment-based inhibitor discovery

gan Chen, Yu, Shoichet, Brian K
Cyhoeddwyd 2009

Protein Stability Effects in Aggregate-Based Enzyme Inhibition

gan Torosyan, Hayarpi, Shoichet, Brian K.
Cyhoeddwyd yn J Med Chem (2019)

Structural Basis for Imipenem Inhibition of Class C β-Lactamases

gan Beadle, Beth M., Shoichet, Brian K.
Cyhoeddwyd 2002

ZINC – A Free Database of Commercially Available Compounds for Virtual Screening

gan Irwin, John J., Shoichet, Brian K.
Cyhoeddwyd 2005

Hierarchical Docking of Databases of Multiple Ligand Conformations

gan Lorber, David M., Shoichet, Brian K.
Cyhoeddwyd 2005

Synergy and Antagonism of Promiscuous Inhibition in Multiple-Compound Mixtures

gan Feng, Brian Y., Shoichet, Brian K.
Cyhoeddwyd 2006

A Detergent-Based Assay for the Detection of Promiscuous Inhibitors

gan Feng, Brian Y, Shoichet, Brian K
Cyhoeddwyd 2006

Structure-based drug screening for G protein-coupled receptors

gan Shoichet, Brian K., Kobilka, Brian K.
Cyhoeddwyd 2012

Docking Screens for Novel Ligands Conferring New Biology

gan Irwin, John J., Shoichet, Brian K.
Cyhoeddwyd yn J Med Chem (2016)

The Acylation Mechanism of CTX-M β-Lactamase at 0.88 Å Resolution

gan Chen, Yu, Bonnet, Richard, Shoichet, Brian K.
Cyhoeddwyd 2007

Stoichiometry and Physical Chemistry of Promiscuous Aggregate-Based Inhibitors

gan Coan, Kristin E. D., Shoichet, Brian K.
Cyhoeddwyd 2008

One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites

gan Fischer, Marcus, Shoichet, Brian K, Fraser, James S
Cyhoeddwyd yn Chembiochem (2015)

Here Be Dragons: Docking and Screening in an Uncharted Region of Chemical Space

gan BRENK, RUTH, IRWIN, JOHN J., SHOICHET, BRIAN K.
Cyhoeddwyd 2005

Decoys for Docking

gan Graves, Alan P., Brenk, Ruth, Shoichet, Brian K.
Cyhoeddwyd 2005

Re-examining the role of Lys67 in class C β-lactamase catalysis

gan Chen, Yu, McReynolds, Andrea, Shoichet, Brian K
Cyhoeddwyd 2009