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Published in 2018 at "Handbook of experimental pharmacology"
DOI: 10.1007/164_2017_44
Abstract: X-ray and cryo-EM structures of tetrameric and pseudo-tetrameric P-loop channels are used to elaborate homology models of mammalian voltage-gated sodium channels with drugs and neurotoxins. Such models integrate experimental data, assist in planning new experiments,…
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Keywords:
models ligand;
structural models;
sodium;
bound sodium ... See more keywords
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Published in 2019 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2019.00052
Abstract: The precise modeling of molecular interactions remains an important goal among molecular modeling techniques. Some of the challenges in the field include the precise definition of a Hamiltonian for biomolecular systems, together with precise parameters…
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Keywords:
energies computed;
models ligand;
model;
coulomb model ... See more keywords