Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models.
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DOI: 10.1021/acs.jcim.7b00132
Abstract: Molecular simulation has been used to model the detailed folding properties of peptides, yet prospective computational peptide design by such approaches remains challenging and nontrivial. To test the accuracy of simulation-based hairpin design, we characterized… read more here.
Keywords: experimental evaluation; evaluation designed; hairpin; ff99sb ildn ... See more keywords