Ligand-receptor interactions complex

The interaction between ligands and their receptors is clearly a dynamic process. Once the static model of ligand-receptor interaction has been obtained, the stability of ligand-receptor complexes should be evaluated by means of molecular dynamics simulations [18]. 

A lack of agreement between the Kj estimated in equilibrium experiments and that determined in kinetic experiments (k i/ki = Kd) suggests a more complex ligand-receptor interaction. 

Ligand-receptor interaction is an important initial step in protein function. The structure of ligand-receptor complex profoundly affects the specificity and efficiency of protein action. The molecular docking performs the computational prediction of... 

The quantitation of steric effects is complex at best and challenging in all other situations, particularly at the molecular level. An added level of confusion comes into play when attempts are made to delineate size and shape. Nevertheless, sterics are of overwhelming importance in ligand-receptor interactions as well as in transport phenomena in cellular systems. The first steric parameter to be quantified and used in QSAR studies was Taft s constant (157). is defined as... 

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