[PDF] Computational Approaches to Nuclear Receptors From Computational Simulation to In Vivo Experiments

Content: Preface; Introduction; Nuclear receptors: connecting human health to the environment; Structural aspects, pros and cons of structural data as a base for computational investigations; Protein Structure Prediction and Analysis with Constraint Logic Programming; Molecular Dynamics: A Tool to Understand Nuclear Receptors; Docking, screening and selectivity prediction for small molecule nuclear receptor modulators; Quantum chemical studies of estrogenic toxins; Fluorescent rats to test computational studies; Homology modeling studies of a Nuclear G-protein Coupled Receptor GPER; From computational simulations on NR to chemosensors for food safety