Niklas P. Doering

Königin Luise Str. 2 + 4
Berlin, BE 14195, Germany

Last Updated: 09/26/2026

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Found 8 publications

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Journal: Journal of chemical information and modeling

Published: February 26, 2026

Mechanistic Insights into G Protein-Biased κ-Opioid Receptor Signaling Using Dual-Charged Naltrexamine Amides.

Mechanistic Insights into G Protein-Biased κ-Opioid Receptor Signaling Using Dual-Charged Naltrexamine Amides.

Journal: Journal of medicinal chemistry

Published: February 05, 2026

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Journal: Journal of chemical information and modeling

Published: January 21, 2026

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

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

Journal: Journal of chemical information and modeling

Published: December 10, 2025

MDPath: Unraveling Allosteric Communication Paths of Drug Targets through Molecular Dynamics Simulations.

MDPath: Unraveling Allosteric Communication Paths of Drug Targets through Molecular Dynamics Simulations.

Journal: Journal of chemical information and modeling

Published: October 01, 2025

Structure-Based Virtual Screening Identifies TREM2-Targeted Small Molecules that Enhance Microglial Phagocytosis.

Structure-Based Virtual Screening Identifies TREM2-Targeted Small Molecules that Enhance Microglial Phagocytosis.

Journal: bioRxiv : the preprint server for biology

Published: September 05, 2025

Structure-Based Virtual Screening Identifies TREM2-Targeted Small Molecules that Enhance Microglial Phagocytosis.

Structure-Based Virtual Screening Identifies TREM2-Targeted Small Molecules that Enhance Microglial Phagocytosis.

Journal: ChemMedChem

Published: August 23, 2025

OpenMMDL - Simplifying the Complex: Building, Simulating, and Analyzing Protein-Ligand Systems in OpenMM.

OpenMMDL - Simplifying the Complex: Building, Simulating, and Analyzing Protein-Ligand Systems in OpenMM.

Journal: Journal of chemical information and modeling

Published: February 11, 2025

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Last Updated: 09/26/2026