NCPepFold: Accurate Prediction of Noncanonical Cyclic Peptide Structures via Cyclization Optimization with Multigranular Representation-Reference-Cited by-同舟云学术

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NCPepFold: Accurate Prediction of Noncanonical Cyclic Peptide Structures via Cyclization Optimization with Multigranular Representation

Published:2025-04-21 Issue:9 Volume:21 Page:4979-4991
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mao Qingyi¹²^ORCID,Shang Tianfeng³⁴,Xu Wen¹²^ORCID,Zhai Silong⁵⁶,Zhang Chengyun³⁴,Guo Jingjing⁵⁶^ORCID,Su An¹²^ORCID,Li Chengxi⁷⁸,Duan Hongliang⁵⁶^ORCID

Affiliation:

1. College of Pharmaceutical Sciences

2. Zhejiang University of Technology

3. AI Department

4. Shenzhen Highslab Therapeutics Inc.

5. Faculty of Applied Sciences

6. Macao Polytechnic University

7. College of Chemical and Biological Engineering

8. Zhejiang University

Funder

Natural Science Foundation of Zhejiang Province

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5c00139

Reference42 articles.

1. Peptide therapeutics: current status and future directions

2. Therapeutic peptides: Historical perspectives, current development trends, and future directions

3. Peptide-mediated interactions in biological systems: new discoveries and applications

4. Peptidomimetics, a synthetic tool of drug discovery

5. Peptides mediating interaction networks: new leads at last

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