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The molecular shape of the drugs is designed to be highly specific, but they are often prescribed for the most unspecific of symptoms: anxiety, insomnia, shyness, natural sadness following bereavement.
The molecular shape of the geometry optimized spipethiane structure is different from those of the most potent and least potent ligands in that, the former is linear while the latter are curved.
Finally, NMR structure determinations suggested that MTP1 would be oriented into the membrane bilayer, while the molecular shape of MTP2 could indicate porin-mediated antimicrobial mechanisms, as predicted using molecular docking analysis.
In order to evaluate the importance of molecular shape of inhibitor molecules and the charge/H-bond and hydrophobic interactions, we synthesized three types of molecules and tested them against a sialyltransferase.
High-resolution structures, coupled with lower resolution methods to determine the overall molecular shape of these proteins, allow us for the first time to build complete atomic structures of the spectrin family of proteins.
Furthermore, formalized analysis of self-assembled systems in terms of molecular shape of constituent amphiphiles, is of fundamental importance in all fields involving molecular interfaces, from the study of synaptic endocytosis in neural transmission to the understanding of primitive cellular membranes.
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We study the effect of molecular shape on Li+ conduction in dilute and concentrated polymer electrolytes (LiI P EO n(3 ⩽ n ⩽ 100)).
The SEC/MALLS analysis revealed that the molecular shapes of the Fr-I and Fr-II were the rigid sphere suspected to be the aggregates of complex polysaccharides.
This study explores the contribution of molecular shape and exposure of charges, to the antimicrobial activity of tetra-cationic Zn porphyrin-based photosensitizers.
To investigate the role of the molecular shape and quadrupole of nitrogen at temperatures below the boiling point we carried out a comprehensive molecular simulation study of the performance of two popular molecular models for nitrogen: (1) 1-site LJ model (1CLJ) and (2) a model with two LJ sites and three partial charges (2CLJ+3q).
Maximal Length/Breadth Ratio Descriptor of molecular shape describing the ratio of a molecule's length to breadth in the region where it is highest.
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