PepBinding: A Workflow for Predicting Peptide Binding Structures by Combining Peptide Docking and Peptide Gaussian Accelerated Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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PepBinding: A Workflow for Predicting Peptide Binding Structures by Combining Peptide Docking and Peptide Gaussian Accelerated Molecular Dynamics Simulations

Published:2024-07-23 Issue:30 Volume:128 Page:7332-7340
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Wang Jinan¹,Koirala Kushal¹²,Do Hung N.³^ORCID,Miao Yinglong¹^ORCID

Affiliation:

1. Computational Medicine Program and Department of Pharmacology, University of North Carolina − Chapel Hill, Chapel Hill, North Carolina 27599, United States

2. Curriculum in Bioinformatics and Computational Biology, University of North Carolina − Chapel Hill, Chapel Hill, North Carolina 27599, United States

3. Computational Biology Program, Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66047, United States

Funder

Division of Biological Infrastructure

University of North Carolina at Chapel Hill

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c02047

Reference70 articles.

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

2. PepBind: A Comprehensive Database and Computational Tool for Analysis of Protein–peptide Interactions

3. Peptides and peptide conjugates: therapeutics on the upward path

4. Peptide therapeutics: current status and future directions

5. An unexpected switch in peptide binding mode: from simulation to substrate specificity

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