Yvonne Westermaier

Av. Joan XXIII, 27-31
Barcelona, CT 08028, Spain

Last Updated: 09/26/2026

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Found 15 publications

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

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

Journal: Journal of chemical information and modeling

Published: June 20, 2025

The Quasi-Bound State as a Predictor of Relative Binding Free Energy.

The Quasi-Bound State as a Predictor of Relative Binding Free Energy.

Journal: Journal of chemical information and modeling

Published: May 20, 2025

Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease.

Molecular simulations meet personalized medicine: The mechanism of action of CLC-5 antiporter and the origin of Dent's disease.

Journal: PNAS nexus

Published: November 21, 2024

Identification of the atypical antipsychotic Asenapine as a direct survivin inhibitor with anticancer properties and sensitizing effects to conventional therapies.

Identification of the atypical antipsychotic Asenapine as a direct survivin inhibitor with anticancer properties and sensitizing effects to conventional therapies.

Journal: Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie

Published: October 07, 2024

Confounding Factors in Targeted Degradation of Short-Lived Proteins.

Confounding Factors in Targeted Degradation of Short-Lived Proteins.

Journal: ACS chemical biology

Published: July 03, 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

High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.

High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations.

Journal: Journal of chemical information and modeling

Published: December 28, 2022

Building Biological Relevance Into Integrative Modelling of Macromolecular Assemblies.

Building Biological Relevance Into Integrative Modelling of Macromolecular Assemblies.

Journal: Frontiers in molecular biosciences

Published: November 30, 2021

Novel Mechanism for an Old Drug: Phenazopyridine is a Kinase Inhibitor Affecting Autophagy and Cellular Differentiation.

Novel Mechanism for an Old Drug: Phenazopyridine is a Kinase Inhibitor Affecting Autophagy and Cellular Differentiation.

Journal: Frontiers in pharmacology

Published: February 05, 2021

Extensive benchmark of rDock as a peptide-protein docking tool.

Extensive benchmark of rDock as a peptide-protein docking tool.

Journal: Journal of computer-aided molecular design

Published: January 09, 2019

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Journal: Journal of computer-aided molecular design

Published: May 25, 2017

Showing 1-12 of 15

Last Updated: 09/26/2026