Calculation of the CD Spectrum of a Peptide from Its Conformational Phase Space: The Case of Met-enkephalin and Its Unnatural Analogue-Reference-Cited by-同舟云学术

Calculation of the CD Spectrum of a Peptide from Its Conformational Phase Space: The Case of Met-enkephalin and Its Unnatural Analogue

Published:2012-04-10 Issue:5 Volume:8 Page:1694-1705
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Brkljača Zlatko¹,Čondić-Jurkić Karmen¹²,Smith Ana-Sunčana¹,Smith David M.²³

Affiliation:

1. Institute for Theoretical Physics and Excellence Cluster: Engineering of Advanced Materials, FA University Erlangen—Nürnberg, Nägelsbachstraße 49b, Erlangen, 91052, Germany

2. Division of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000, Zagreb, Croatia

3. Center for Computational Chemistry, FA University of Erlangen—Nürnberg, Nägelsbachstraße 25, Erlangen, 91052, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200868y

Reference53 articles.

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2. Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics

3. Alcohol addiction (alcoholism) and the opioid system

4. Tumor-Cell-Targeted Methionine-enkephalin Analogues Containing Unnatural Amino Acids: Design, Synthesis, and in Vitro Antitumor Activity

5. Computational structure–activity study directs synthesis of novel antitumor enkephalin analogs

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