Modeling of molecular and properties of anthracite base on structural accuracy identification methods
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DOI: 10.1016/j.molstruc.2019.01.092
Abstract: Abstract Molecular model construction is essential for the study of the energy conversion process, the combustion reaction mechanism and the clean utilization of coal. In this study, an anthracite molecular structure of GBW(E)110031 was constructed… read more here.
Keywords: structural accuracy; spectroscopy; accuracy identification; structure ... See more keywords
Influence of the Structural Accuracy of Homology Models on Their Applicability to Docking-Based Virtual Screening: The β2 Adrenergic Receptor as a Case Study
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00380
Abstract: How accurate do structures of the β2 adrenergic receptor (β2AR) need to be to effectively serve as platforms for docking-based virtual screening campaigns? To answer this research question, here, we targeted through controlled virtual screening… read more here.
Keywords: virtual screening; screening; correlation; structural accuracy ... See more keywords