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Toward accurately modeling N-methylated cyclic peptides

Published:2017 Issue:7 Volume:19 Page:5377-5388
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Slough Diana P.¹²³⁴,Yu Hongtao¹²³⁴,McHugh Sean M.¹²³⁴,Lin Yu-Shan¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Tufts University

3. Medford

4. USA

Abstract

Structure prediction of benchmark N-methylated cyclic hexapeptides using enhanced sampling methods.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP07700E

Reference79 articles.

1. Cyclic and Macrocyclic Peptides as Chemical Tools To Recognise Protein Surfaces and Probe Protein-Protein Interactions

2. Getting in Shape: Controlling Peptide Bioactivity and Bioavailability Using Conformational Constraints

3. Form and Function in Cyclic Peptide Natural Products: A Pharmacokinetic Perspective

4. Improving Oral Bioavailability of Peptides by Multiple N-Methylation: Somatostatin Analogues

5. On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds

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