Thereza Soares

43PUBLICATIONS
84CO-AUTHORS
Numerical modelling and mechanical characterisationCheminformatics and quantitative structure-activity relationshipsMechanobiologyComputational chemistryFormal methods for software
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Publications (43)

|Jul 09, 2026
A Numerical Implementation to Calculate Elastic Properties of Biological Membrane Simulations.

|Jun 22, 2026
Mapping the Molecular Universe: Exploring Chemical Compound Space by Multiscale High-Throughput Screening and Machine Learning.

|Jun 01, 2026
Acidic pH Modulates Headgroup Orientation and Packing in Bis(monoacylglycero)phosphate Bilayers.

|Apr 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry.

|Apr 23, 2026
SuAVE-Scatter: A Module for Integrating Simulations and SAXS/SANS Analyses.

|Apr 07, 2026
Exploring the Interactions Between Methyl Methacrylate Polymers and the Bacterial Outer Membrane via Coarse-Grained Molecular Dynamics Simulations.

Eduardo R Almeida, Vinicius Firmino Dos Santos, Madeleine Ramstedt

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Frequent Collaborators

9 joint publications

Kenneth Merz

8 joint publications

Habibah Wahab

6 joint publications

Zoe Cournia

5 joint publications

Denys E S Santos