Free energy analyses showed that these compounds stabilize the PrPC conformation by decreasing the conformational fluctuation of the PrPC.
They exhibit considerable conformational flexibility and became ordered to form a "closed" conformation by interacting with the substrate.
The molecule attempts to adopt this conformation by rotating about the double bond until the shape of its nuclei matches the distribution of its electrons.
TCz-TPA adopts a highly twisted propeller conformation by molecular mechanical optimization.
The underlying idea is to adapt a 3D grid of potential field values, pre-calculated from an initial protein conformation by DrugScorePPI, to another conformation by moving grid intersection points in space, but keeping the potential field values constant.
The plasminogen activator inhibitor-1 (PAI-1) is stabilized in its inhibitory conformation by binding to Vitronectin (Vn).
The distortion of the peptide conformation by the addition of MeOH was also effective for the peroxidase reaction.
The calix[4]arene monomer was locked into tie cone conformation by appending four ethoxyethyl groups to its lower rim.
We revealed that a hairpin aptamer enabled to capture target ATP only when the aptamer transformed into the open-loop conformation by temperature-induced self-dissociation.
Our studies suggest that its activity at the IMS is facilitated in a partially unfolded "molten globule" conformation by the proton pump between the matrix and IMS.
The inhibitory switch (IS) domain of p21-activated kinase 1 (PAK1) stabilizes full-length PAK1 in an inactive conformation by binding to the PAK1 kinase domain.
