Sebastian Thallmair

Frankfurt Institute for Advanced Studies — Germany

Physics and Astronomy · Physical Sciences

24h-index3.3kcitations102works6.52yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(22), Protein Structure and Dynamics(17), Lipid Membrane Structure and Behavior(15), Crystallization and Solubility Studies(14), X-ray Diffraction in Crystallography(14)

Publications102 total

Photopharmacology in Action: Conformational Landscape of a Photoswitchable Covalent Kinase Inhibitor
The Journal of Physical Chemistry B·2025· 1 cited
Martini 3 coarse-grained models of azobenzene-based photolipids: Modulation of membranes with light
2025Open Access
Allosteric pathway connects Zn(II) loss from SOD1 to known pathogenic mechanisms
International Journal of Biological Macromolecules·2025· 1 cited
The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior
ACS Central Science·2025· 18 citedOpen Access
Author response for "Photoactivatable and photolabile pharmacophores: lessons learned from capsaicin"
2025
Photopharmacology in Action: Conformational Landscape of a Photoswitchable Covalent Kinase Inhibitor
2025Open Access
Photoactivatable and Photolabile Pharmacophores: Lessons Learned from Capsaicin
2025Open Access
GōMartini 3: From large conformational changes in proteins to environmental bias corrections
Nature Communications·2025· 40 citedOpen Access
Martini 3 protein models - a practical introduction to different structure bias models and their comparison
2025· 4 citedOpen Access
Elucidating the structure and function of a membrane-active plant protein domain using in silico mutagenesis
Biochimica et Biophysica Acta (BBA) - Biomembranes·2025
Photoactivatable and photolabile pharmacophores: lessons learned from capsaicin
RSC Chemical Biology·2025Open Access
The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior
2024· 11 citedOpen Access
G-Protein-Coupled Receptor Surface Creates a Favorable Pathway for Membrane Permeation of Drug Molecules
The Journal of Physical Chemistry Letters·2024· 4 cited
S273 phosphorylation restricts PPARy structural dynamics - a multiscale modeling view on the mechanisms of obesity metabolism
2024Open Access
GōMartini 3: From large conformational changes in proteins to environmental bias corrections
2024· 29 citedOpen Access
GPCR surface creates a favorable pathway for membrane permeation of drug molecules
2024· 1 citedOpen Access
Optimal bond constraints for molecular dynamics simulations of cholesterol
Biophysical Journal·2024· 1 cited
Martini 3 Coarse-Grained Force Field for Cholesterol
Journal of Chemical Theory and Computation·2023· 76 citedOpen Access
Martini 3 Coarse-Grained Force Field for cholesterol
2023· 6 citedOpen Access
Localization of the tubby domain, a PI(4,5)P2 biosensor, to E-Syt3-rich endoplasmic reticulum–plasma membrane junctions
Journal of Cell Science·2023· 8 citedOpen Access
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Frequent Co-authors

‪Siewert J. Marrink(26), Regina de Vivie‐Riedle(16), Paulo C. T. Souza(15), Manuel N. Melo(8), Luís Borges-Araújo(7), Balázs Fábián(7), Ana C. Borges-Araújo(6), Riccardo Alessandri(5), Luca Monticelli(5), D. Peter Tieleman(5), Helgi I. Ingólfsson(5), Julius P. P. Zauleck(5), Jonathan Barnoud(4), Hanif M. Khan(4), Alex H. de Vries(4), Markus Kowalewski(4), Tuǧba N. Öztürk(4), Daniel P. Ramirez-Echemendía(4), Timothy S. Carpenter(4), Gerhard Hummer(4)