Proper modelling of ligand binding requires an ensemble of bound and unbound states
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چکیده
منابع مشابه
Proper modelling of ligand binding requires an ensemble of bound and unbound states
Although noncovalent binding by small molecules cannot be assumed a priori to be stoichiometric in the crystal lattice, occupancy refinement of ligands is often avoided by convention. Occupancies tend to be set to unity, requiring the occupancy error to be modelled by the B factors, and residual weak density around the ligand is necessarily attributed to `disorder'. Where occupancy refinement i...
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چکیده ندارد.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Structural Biology
سال: 2017
ISSN: 2059-7983
DOI: 10.1107/s2059798317003412