Structural prediction of graphitization and porosity in carbide-derived carbons
Sign Up to like & getrecommendations! Published in 2017 at "Carbon"
DOI: 10.1016/j.carbon.2017.04.004
Abstract: Abstract Carbide-derived carbons (CDCs) are nanoporous carbons with a tunable pore size, making them desirable for their adsorption properties. Despite their applicability, reliable structural models are difficult to construct due to the interplay between strong… read more here.
Keywords: porosity; carbide derived; prediction graphitization; derived carbons ... See more keywords
Accelerated Structural Prediction of Flexible Protein-Ligand Complexes: The SLICE Method
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DOI: 10.1021/acs.jcim.9b00688
Abstract: Using existing and academically available software, we present a new method for the structural prediction of binding events containing flexible protein targets. SLICE (Selective Ligand-Induced Conformational Ensemble) combines opportunistic stochastic jumps of ligand position with… read more here.
Keywords: protein; flexible protein; host; ligand ... See more keywords