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Chapter
3D modeling for TM receptors: Problems and perspectives
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Article
3D modeling for TM receptors: Algorithms and validations
This paper outlines the basic strategy to build 3D models of transmembrane G-protein coupled receptors (GPCRs) starting from their amino acid sequences in a ‘block-by-block’ manner: (i) locate possible TM heli...
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Article
3D Modeling for TM Receptors: Algorithms and Validations
This paper outlines the basic strategy to build 3D models of transmembrane G-protein coupled receptors (GPCRs) starting from their amino acid sequences in a ‘block-by-block’ manner: (i) locate possible TM heli...
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Article
Molecular Parameterisation and the Theoretical Calculation of Electrode Potentials
The difference in reduction potentials between ortho and para-benzoquinones has been calculated. The employs gas phase ab initio and semi-empirical computations in combination with free energy perturbation theory...