We test a {range|variety} of {standard|regular|normal|common|typical} implicit solvent models and protein forcefields {for a|to get a|for any} set of {5|five} experimentally characterized, {designed|developed|created|made} α-helical peptides. 65 combinations of forcefield and implicit solvent models are evaluated in >800 µs of molecular dynamics simulations. The {data|information} show that implicit solvent models {generally|usually|typically|normally|commonly|frequently} fail to reproduce the experimentally observed secondary structure {content|content material}, and none performs {well|nicely|effectively|properly} for all {5|five} peptides. {The results|The outcomes} show that these models {are not|aren’t|usually are not|will not be|are certainly not|are usually not} usefully predictive. Fmoc-O-Methyl-L-Homoseri custom synthesis Cl-PEG2-acid Data Sheet PMID:24578169
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