Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. | 0 | 0.34 | 2020 |
The Replacement of Protein Binding-site Waters Contributes to Favorable Halogen Bond Interactions. | 0 | 0.34 | 2019 |
Discovery of Novel Pim-1 Kinase Inhibitors with a Flexible-Receptor Docking Protocol. | 0 | 0.34 | 2019 |
Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules. | 0 | 0.34 | 2015 |
Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual Screening. | 2 | 0.42 | 2014 |
A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space. | 1 | 0.36 | 2013 |
Ab initio modeling and experimental assessment of Janus Kinase 2 (JAK2) kinase-pseudokinase complex structure. | 0 | 0.34 | 2013 |
Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening. | 2 | 0.42 | 2012 |
Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening. | 23 | 1.42 | 2006 |
Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. | 19 | 1.58 | 2003 |