A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF3)-Trp substituted analogs in different solvents

A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF3)-Trp substituted analogs in different solvents

<p>The cyclic octa-peptide octreotide and its derivatives are used as diagnostics and therapeutics in relation to particular types of cancers. This led to investigations of their conformational properties using spectroscopic, NMR and CD, methods. A CF3-substituted derivative, that was designed...

Полное описание

Библиографические подробности
Главные авторы:	Smith, L, Rought Whitta, G, Dolenc, J, Wang, D, van Gunsteren, W
Формат:	Journal article
Опубликовано:	Elsevier 2016

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