Article ID Journal Published Year Pages File Type
5394460 Computational and Theoretical Chemistry 2012 7 Pages PDF
Abstract
► Ten models of cyclic RGD pentapeptides have been studied at B3LYP/6-311G(d,p) level. ► All the 10 models were fully optimized both in the gas phase and in the solvent. ► The modified models of cRGDEf and cRGDCf might be candidates for the active cyclic RGD pentapeptides.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
In search of active RGD peptides: Theoretical study of hydrogen bonding in five-member ring cyclic-RGD isomers
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