Investigating CO2 uptake in Sc2BDC3 using XRD, ab initio DFT and GCMC methods
نویسندگان
چکیده
منابع مشابه
Ab initio methods.
Ab initio structure prediction seeks to predict the native conformation of a protein from the amino acid sequence alone. Such attempts are both a fundamental test of our understanding of protein folding, and an important practical challenge in this era of large scale genome sequencing projects, which are producing large numbers of protein sequences for which no three-dimensional structural info...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2018
ISSN: 2053-2733
DOI: 10.1107/s2053273318094147