Translational aspect in peptide drug discovery and development: An emerging therapeutic candidate

U Anand, A Bandyopadhyay, NK Jha… - Biofactors, 2023 - Wiley Online Library
In the last two decades, protein–protein interactions (PPIs) have been used as the main
target for drug development. However, with larger or superficial binding sites, it has been …

A two-step binding mechanism for the self-binding peptide recognition of target domains

C Yang, S Zhang, Z Bai, S Hou, D Wu, J Huang… - Molecular …, 2016 - pubs.rsc.org
Self-binding peptides (SBPs) represent a novel biomolecular phenomenon spanning
between folding and binding, where a short peptide segment within a monomeric protein …

CABS-dock standalone: a toolbox for flexible protein–peptide docking

M Kurcinski, M Pawel Ciemny, T Oleniecki… - …, 2019 - academic.oup.com
CABS-dock standalone is a multiplatform Python package for protein–peptide docking with
backbone flexibility. The main feature of the CABS-dock method is its ability to simulate …

A systematic analysis of atomic protein–ligand interactions in the PDB

RF de Freitas, M Schapira - Medchemcomm, 2017 - pubs.rsc.org
As the protein databank (PDB) recently passed the cap of 123 456 structures, it stands more
than ever as an important resource not only to analyze structural features of specific …

Peptide-based inhibitors of protein–protein interactions: biophysical, structural and cellular consequences of introducing a constraint

H Wang, RS Dawber, P Zhang, M Walko, AJ Wilson… - Chemical …, 2021 - pubs.rsc.org
Protein–protein interactions (PPIs) are implicated in the majority of cellular processes by
enabling and regulating the function of individual proteins. Thus, PPIs represent high-value …

Ranking peptide binders by affinity with AlphaFold

L Chang, A Perez - Angewandte Chemie International Edition, 2023 - Wiley Online Library
AlphaFold has revolutionized structural biology by predicting highly accurate structures of
proteins and their complexes with peptides and other proteins. However, for protein‐peptide …

RELIC–A bioinformatics server for combinatorial peptide analysis and identification of protein‐ligand interaction sites

S Mandava, L Makowski, S Devarapalli, J Uzubell… - …, 2004 - Wiley Online Library
Phage display technology provides a versatile tool for exploring the interactions between
proteins, peptides and small molecule ligands. Quantitative analysis of peptide population …

A comprehensive survey of small-molecule binding pockets in proteins

M Gao, J Skolnick - PLoS computational biology, 2013 - journals.plos.org
Many biological activities originate from interactions between small-molecule ligands and
their protein targets. A detailed structural and physico-chemical characterization of these …

The multiple‐specificity landscape of modular peptide recognition domains

D Gfeller, F Butty, M Wierzbicka… - Molecular systems …, 2011 - embopress.org
Modular protein interaction domains form the building blocks of eukaryotic signaling
pathways. Many of them, known as peptide recognition domains, mediate protein …