A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules.
作者： Virginie Pichon-Pesme , Christian Jelsch , Benoit Guillot , Claude Lecomte , None
DOI: 10.1107/S0108767304004246
关键词:
摘要: The differences between two databases describing the polypeptide main chain in terms of charge-density parameters, directly usable protein structure refinements, are discussed. These contain averaged multipole populations peptide pseudo-atoms obtained from refinement against theoretical simulated data and high-resolution experimental on small or amino acid molecules. discrepancy becomes apparent when electrostatic properties calculated.
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sci-hub.se 参考文章(8)
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