Work

Molecular docking versus co-folding for protein–peptide pose prediction: effects of protein flexibility and training set overlap

Year: 2026

Type: article

Abstract: Synthetic peptides are increasingly important as therapeutic and diagnostic agents due to their high specificity, ease in synthesis, and suitability for targeting protein interfaces.

Source: Digital Discovery

DOI: 10.1039/d6dd00242k

Authors: Mark Fonteyne, Nada Badr, Peter J. K. Kuppen, Alexander L. Vahrmeijer, Gerard J. P. van Westen, Willem Jespers

Institutions: Leiden University, Leiden University Medical Center, University of Groningen

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: diamond

Funders: Universiteit Leiden, Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek, Leids Universitair Medisch Centrum

Awards: Novel Oncological Targets - Inhibiting Cancer via Mutated G Proteins, G9000366807

OpenAlex ID: W7161815677

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