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Published in 2017 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-017-0040-7
Abstract: The knowledge of the free energy of binding of small molecules to a macromolecular target is crucial in drug design as is the ability to predict the functional consequences of binding. We highlight how a…
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Keywords:
mode prediction;
ncor;
rev erb;
binding mode ... See more keywords
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Published in 2018 at "Journal of Cleaner Production"
DOI: 10.1016/j.jclepro.2018.04.024
Abstract: Abstract The energy crisis and exhaust emissions are serious problems that are largely related to road traffic. One solution to these threats is to switch from traditional gasoline-based vehicles to hybrid electric vehicles (HEVs) or…
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Keywords:
operation mode;
mode prediction;
prediction;
rule ... See more keywords