منابع مشابه
Coordination geometry of lead carboxylates - spectroscopic and crystallographic evidence.
Despite their versatility, only a few single-crystal X-ray structures of lead carboxylates exist, due to difficulties with solubility. In particular, the structures of long-chain metal carboxylates have not been reported. The lone electron pair in Pb(ii) can be stereochemically active or inactive, leading to two types of coordination geometries commonly referred to as hemidirected and holodirec...
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Ideal values of bond angles and lengths used as external restraints are crucial for the successful refinement of protein crystal structures at all but the highest of resolutions. The restraints in common use today have been designed on the assumption that each type of bond or angle has a single ideal value that is independent of context. However, recent work has shown that the ideal values are,...
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The Cambridge Structural Database (CSD) currently contains over 310,000 structure determinations for small molecule organic and organometallic compounds, and thus is a good source of information on molecular geometries and conformational preferences. The program Mogul (Molecular Geometry Library) has been developed by the CCDC to provide rapid access to this information with full statistics. To...
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In the common dihydrofolate reductase inhibitors an amino substituent replaces the pteridine carbonyl oxygen atom of folates, with altered hydrogen-bonding properties and size. Flexibility in the amino groups could facilitate enzyme binding. Studies of cycloguanil hydrochloride by neutron diffraction show both in-plane and out-of-plane deformation of amino groups. Molecular-orbital calculations...
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Crystallographic studies play a major role in current efforts towards protein structure determination. Despite recent advances in computational tools for molecular modeling and graphics, the construction of a three-dimensional protein backbone model from crystallographic data remains complex and time-consuming. This paper describes a unique contribution to an automated approach to protein model...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1981
ISSN: 0108-7673
DOI: 10.1107/s0108767381089162