Niklas Piet Doering

5PUBLICATIONS
55CO-AUTHORS
Biomolecular modelling and designBioinformatic methods developmentProteins and peptidesCheminformatics and quantitative structure-activity relationshipsPharmaceutical delivery technologies
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Publications (5)

|Nov 09, 2026
Benchmarking Protein-Ligand Cofolding Models: Correct Ligand Placement Is Decoupled From Accurate Protein Conformation.

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Feb 05, 2026
Mechanistic Insights into G Protein-Biased κ-Opioid Receptor Signaling Using Dual-Charged Naltrexamine Amides.

Niklas Piet Doering, Kristina Puls, Marta Diceglie

|Dec 10, 2025
Fingerprint-Based Machine Learning for SARS-CoV-2 and MERS-CoV Mpro Inhibition: Highlighting the Potential of Bayesian Neural Networks.

Niklas Piet Doering, Valerij Talagayev, Sijie Liu

|Oct 01, 2025
MDPath: Unraveling Allosteric Communication Paths of Drug Targets through Molecular Dynamics Simulations.

Niklas Piet Doering, Marvin Taterra, Marcel Bermúdez

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Frequent Collaborators

5 joint publications

Gerhard Wolber

2 joint publications

Sijie Liu

1 joint publications

Marvin Taterra

1 joint publications

Marcel Bermúdez