Structure-Based Predictions of Activity Cliffs. | 3 | 0.39 | 2015 |
Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations. | 2 | 0.45 | 2014 |
In silico deconstruction of ATP-competitive inhibitors of glycogen synthase kinase-3β. | 1 | 0.39 | 2012 |
SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design. | 4 | 0.51 | 2011 |
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. | 2 | 0.56 | 2006 |
A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs. | 5 | 0.85 | 2006 |