6 research outputs found
Sexual attraction in the silkworm moth: Nature of binding of bombykol in pheromone binding protein - An ab initio study
Get PDFAn analysis of the crystal structure of [BmPBP... bombykol] complex identified nine amino acid residues involved in a variety of intermolecular interactions binding the ligand. Using simple model fragments as the representatives of the residues, the in
Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor
No full textThe Key to the Extraordinary Thermal Stability of P. furiosus Holo-Rubredoxin: Iron Binding-Guided Packing of a Core Aromatic Cluster Responsible for High Kinetic Stability of the Native Structure
No full textHydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions
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