11 research outputs found

    Computational Studies on Biphenyl Derivatives. Analysis of the Conformational Mobility, Molecular Electrostatic Potential, and Dipole Moment of Chlorinated Biphenyl: Searching for the Rationalization of the Selective Toxicity of Polychlorinated Biphenyls (PCBs)

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    Decabromobiphenyl (PBB-209) Activates the Aryl Hydrocarbon Receptor While Decachlorobiphenyl (PCB-209) Is Inactive: Experimental Evidence and Computational Rationalization of the Different Behavior of Some Halogenated Biphenyls

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    Environmental Effects on Charge Densities of Biologically Active Molecules: Do Molecule Crystal Environments Indeed Approximate Protein Surroundings?

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