| scholarly article | Q13442814 |
| P2093 | author name string | Benoît Roux | |
| Lei Huang | |||
| Yen-Lin Lin | |||
| Yilin Meng | |||
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| Calculation of Standard Binding Free Energies: Aromatic Molecules in the T4 Lysozyme L99A Mutant. | Q53190267 | ||
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| P433 | issue | 42 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 14753-14762 | |
| P577 | publication date | 2014-10-07 | |
| P1433 | published in | Journal of the American Chemical Society | Q898902 |
| P1476 | title | Computational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivity | |
| P478 | volume | 136 |
| Q98178435 | Allosteric Regulation at the Crossroads of New Technologies: Multiscale Modeling, Networks, and Machine Learning |
| Q45934140 | Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors? |
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| Q47662738 | Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity. |
| Q39025426 | Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3). |
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| Q47149307 | Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo |
| Q46096236 | Resolving the Ligand-Binding Specificity in c-MYC G-Quadruplex DNA: Absolute Binding Free Energy Calculations and SPR Experiment |
| Q39277365 | Small-world networks of residue interactions in the Abl kinase complexes with cancer drugs: topology of allosteric communication pathways can determine drug resistance effects. |
| Q47794614 | The opening/closure of the P-loop and hinge of BCR-ABL1 decodes the low/high bioactivities of dasatinib and axitinib |
| Q30008744 | Tyrosine Kinase Activation and Conformational Flexibility: Lessons from Src-Family Tyrosine Kinases. |
| Q28546110 | Uncovering Molecular Bases Underlying Bone Morphogenetic Protein Receptor Inhibitor Selectivity |
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