Sebastian Thallmair

26PUBLICATIONS
68CO-AUTHORS
Bioinformatic methods developmentMicrofluidics and nanofluidicsBiomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Biologically active molecules
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Publications (26)

|Sep 14, 2026
Fast-Forward: Automatic Assignment and Assessment of Bonded Parameters for the Martini Force Field.

|Dec 24, 2025
Martini 3 Coarse-Grained Models of Azobenzene-Based Photolipids: Modulation of Membranes with Light.

Cristina Gil Herrero, Thilo Duve, Sebastian Thallmair

|Dec 17, 2025
Photopharmacology in Action: Conformational Landscape of a Photoswitchable Covalent Kinase Inhibitor.

Thilo Duve, Sebastian Thallmair

|Sep 29, 2025
The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior.

Kasper B Pedersen, Helgi I Ingólfsson, Daniel P Ramirez-Echemendia

|Aug 04, 2025
Photoactivatable and photolabile pharmacophores: lessons learned from capsaicin.

Nils Imse, Lucia Rojas, Cristina Gil Herrero

|Apr 30, 2025
GōMartini 3: From large conformational changes in proteins to environmental bias corrections.

Paulo C T Souza, Luís Borges-Araújo, Christopher Brasnett

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Frequent Collaborators

15 joint publications

Siewert J Marrink

8 joint publications

Paulo C T Souza

3 joint publications

D Peter Tieleman

3 joint publications

Helgi I Ingólfsson