Andreas Bergner

Dr. Boehringer Gasse 5-11
Vienna, 1121, Austria

Last Updated: 09/26/2026

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Found 12 publications

Unveiling the KRAS Relationship between Affinity and Dynamics: A Molecular Simulations Study.

Unveiling the KRAS Relationship between Affinity and Dynamics: A Molecular Simulations Study.

Journal: Journal of chemical information and modeling

Published: July 16, 2026

Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Site-of-Metabolism Prediction with Aleatoric and Epistemic Uncertainty Quantification.

Journal: Journal of chemical information and modeling

Published: August 06, 2025

Frustration in the protein-protein interface plays a central role in the cooperativity of PROTAC ternary complexes.

Frustration in the protein-protein interface plays a central role in the cooperativity of PROTAC ternary complexes.

Journal: Nature communications

Published: December 12, 2024

Drugit: crowd-sourcing molecular design of non-peptidic VHL binders.

Drugit: crowd-sourcing molecular design of non-peptidic VHL binders.

Journal: Nature communications

Published: August 16, 2023

Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.

Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.

Journal: Nature cancer

Published: July 27, 2021

Getting a Grip on the Undrugged: Targeting β-Catenin with Fragment-Based Methods.

Getting a Grip on the Undrugged: Targeting β-Catenin with Fragment-Based Methods.

Journal: ChemMedChem

Published: October 25, 2020

Drugging all RAS isoforms with one pocket.

Drugging all RAS isoforms with one pocket.

Journal: Future medicinal chemistry

Published: August 12, 2020

A Grid Map Based Approach to Identify Nonobvious Ligand Design Opportunities in 3D Protein Structure Ensembles.

A Grid Map Based Approach to Identify Nonobvious Ligand Design Opportunities in 3D Protein Structure Ensembles.

Journal: Journal of chemical information and modeling

Published: March 06, 2020

Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.

Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.

Journal: Journal of medicinal chemistry

Published: November 06, 2019

KRAS Binders Hidden in Nature.

KRAS Binders Hidden in Nature.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)

Published: June 18, 2019

Computer-aided drug design at Boehringer Ingelheim.

Computer-aided drug design at Boehringer Ingelheim.

Journal: Journal of computer-aided molecular design

Published: July 15, 2016

Hit expansion approaches using multiple similarity methods and virtualized query structures.

Hit expansion approaches using multiple similarity methods and virtualized query structures.

Journal: Journal of chemical information and modeling

Published: April 23, 2013

Showing 1-12 of 12

Last Updated: 09/26/2026