… of novel allosteric inhibitors. We hypothesize that rationally designed inhibitors based on the
Type 2 … of highaffinity inhibitors that can stabilize the allosteric conformation of many other …

… With this successful rational drug design target, we explore and estimate the performance of
… discriminate between correct binding state and non-native docked conformation during the …

… binding site of tyrosince kinases, the possible targets of TW01 analogues seem to fit into the
ATP binding sites of protein kinases. … to TW01 synthetic team for designing and can be used …

… Figure 2 The binding regions between VEGFR-2 inhibitor and VEGFR-2 … Rational design
of inhibitors that bind to inactive kinase conformations[J]. Nat Chem Biol, 2006, 2: 358–364. DOI:…

… of conformations that go far beyond what was previously known as the active and inactive
… approach opens new opportunities for the rational design of new selective drugs to treat …

… Top ranking compounds are then clustered based on their protein-ligand binding interactions
and grouped into clusters with distinct binding interactions. Compounds are also clustered …

… This finding revealed a new direction of oxidation catalysis for rational design for ligands
and proteins. To date, SgAP and its metal-substituted derivatives remain the only protein …

… Docking plays an important role in rational drug design. Docking finds the interactions
between a ligand and its target following the impact point in three different directions: 1) …

… anti-tumor mechanisms of small molecule protein kinase inhibitors. Moreover, the advances
in … Rational design of inhibitors that bind to inactive kinase conformations[J]. Nat Chem Biol, …

… the inhibition mechanism of Ro48-8071. Moreover, the in vitro SELEX procedure opens
new avenues in rational designing of antifungal agents and hypocholesteremic agents. …