期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 55, 期 52, 页码 15990-16010出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201601828
关键词
biomolecular structure determination; averaging; ambiguities; experimental data; errors
资金
- Swiss National Science Foundation [20020-137827]
- European Research Council (ERC) [228076]
- ICREA Funding Source: Custom
During the past half century, the number and accuracy of experimental techniques that can deliver values of observables for biomolecular systems have been steadily increasing. The conversion of a measured value Q(exp) of an observable quantity Q into structural information is, however, a task beset with theoretical and practical problems: 1) insufficient or inaccurate values of Q(exp), 2)inaccuracies in the function Q used to relate the quantity Q to structure how to account for the averaging inherent in the measurement of Q(exp), 4)how to handle the possible multiple-valuedness of the inverse, to mention a few. These apply to a variety of observable quantities Q and measurement techniques such as X-ray and neutron diffraction, small-angle and wide-angle X-ray scattering, free-electron laser imaging, cryo-electron microscopy, nuclear magnetic resonance, electron paramagnetic resonance, infrared and Raman spectroscopy, circular dichroism, Forster resonance energy transfer, atomic force microscopy and ion-mobility mass spectrometry. The process of deriving structural information from measured data is reviewed with an eye to non-experts and newcomers in the field using examples from the literature of the effect of the various choices and approximations involved in the process. A list of choices to be avoided is provided.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据