Title : Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water.

Pub. Date : 2009 Apr 1

PMID : 19267429






1 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 We studied the cis-trans isomerization of the proline dipeptide (Ace-Pro-NMe) in explicit water by molecular dynamics simulations using a combined potential derived from ab initio quantum mechanics and empirical molecular mechanics. Proline angiotensin I converting enzyme Homo sapiens