Articles with "models ligand" as a keyword



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Structural Models of Ligand-Bound Sodium Channels.

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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,… read more here.

Keywords: models ligand; structural models; sodium; bound sodium ... See more keywords
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Comparative Analysis of Electrostatic Models for Ligand Docking

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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… read more here.

Keywords: energies computed; models ligand; model; coulomb model ... See more keywords