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S

Sebastian Thallmair

goethe university frankfurt

24H-index
102Paper Count
3.3KCitation Count
Published Papers 30
Publication Date
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Martini 3 Coarse-Grained Models of Azobenzene-Based Photolipids: Modulation of Membranes with Light
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errHerrero, Cristina Gil; Duve, Thilo; Thallmair, Sebastian
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Photopharmacology in Action: Conformational Landscape of a Photoswitchable Covalent Kinase Inhibitor
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-12-01
err0
PREAI
errDuve, Thilo; Thallmair, Sebastian
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Allosteric pathway connects Zn(II) loss from SOD1 to known pathogenic mechanisms
errInternational Journal of Biological Macromolecules
IF8.5
err2025-10-16
err0
PREAI
errRocío Araya-Osorio; Moisés Dominguez; Sebastian Thallmair; Siewert J. Marrink; Paulo C.T. Souza; Raúl Mera-Adasme
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Photoactivatable and photolabile pharmacophores: lessons learned from capsaicin
errRSC Chem. Biol.
IF3.1
err2025-08-06
err0
errOAAI
errNils Imse ‡; Lucia Rojas ‡; Cristina Gil Herrero; Sebastian Thallmair; JeongSeop Rhee; Nadja A. Simeth
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Elucidating the structure and function of a membrane-active plant protein domain using in silico mutagenesis
errBIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
IF2.5
err2025-03-01
err0
PREAI
errCheung, Lennie K. Y.; Thallmair, Sebastian; Yada, Rickey Y.
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Martini 3 Coarse-Grained Force Field for Cholesterol
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-05
err26
errOAAI
errBorges-Araujo, Luis; Borges-Araujo, Ana C.; Ozturk, Tugba Nur; Ramirez-Echemendia, Daniel P.; Fabian, Balazs; Carpenter, Timothy S.; Thallmair, Sebastian; Barnoud, Jonathan; Ingolfsson, Helgi I.; Hummer, Gerhard; Tieleman, D. Peter; Marrink, Siewert J.; Souza, Paulo C. T.; Melo, Manuel N.
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Localization of the tubby domain, a PI(4,5)P2 biosensor, to E-Syt3-rich endoplasmic reticulum-plasma membrane junctions
errJOURNAL OF CELL SCIENCE
IF3.6
err2023-08-04
err5
errOAAI
errThallmair, Veronika; Schultz, Lea; Evers, Saskia; Jolie, Theresa; Goecke, Christian; Leitner, Michael G.; Thallmair, Sebastian; Oliver, Dominik
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A locally activatable sensor for robust quantification of organellar glutathione
errNATURE CHEMISTRY
IF20.2
err2023-06-15
err22
errOAAI
errEmmert, Sarah; Quargnali, Gianluca; Thallmair, Sebastian; Rivera-Fuentes, Pablo
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Optimal Bond Constraint Topology for Molecular Dynamics Simulations of Cholesterol
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-02-17
err9
errOAAI
errFabian, Balazs; Thallmair, Sebastian; Hummer, Gerhard
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Two cooperative binding sites sensitize PI(4,5)P2 recognition by the tubby domain
errSCIENCE ADVANCES
IF12.5
err2022-09-09
err9
errOAAI
errThallmair, Veronika; Schultz, Lea; Zhao, Wencai; Marrink, Siewert J.; Oliver, Dominik; Thallmair, Sebastian
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Small ionic radii limit time step in Martini 3 molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-07-15
err7
errOAAI
errFabian, Balazs; Thallmair, Sebastian; Hummer, Gerhard
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Perspective: a stirring role for metabolism in cells
errMOLECULAR SYSTEMS BIOLOGY
IF7.7
err2022-04-01
err0
errOAAI
errLosa, Jose; Leupold, Simeon; Alonso-Martinez, Diego; Vainikka, Petteri; Thallmair, Sebastian; Tych, Katarzyna M.; Marrink, Siewert J.; Heinemann, Matthias
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Hypothesis-Driven, Structure-Based Design in Photopharmacology: The Case of eDHFR Inhibitors
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2022-03-08
err11
errOAAI
errKobauri, Piermichele; Galenkamp, Nicole S.; Schulte, Albert M.; de Vries, Jisk; Simeth, Nadja A.; Maglia, Giovanni; Thallmair, Sebastian; Kolarski, Dusan; Szymanski, Wiktor; Feringa, Ben L.
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Protein dynamics and lipid affinity of monomeric, zeaxanthin-binding LHCII in thylakoid membranes
errBIOPHYSICAL JOURNAL
IF3.1
err2022-02-01
err11
errOAAI
errAzadi-Chegeni, Fatemeh; Thallmair, Sebastian; Ward, Meaghan E.; Perin, Giorgio; Marrink, Siewert J.; Baldus, Marc; Morosinotto, Tomas; Pandit, Anjali
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Martini 3 Coarse-Grained Model for Type III Deep Eutectic Solvents: Thermodynamic, Structural, and Extraction Properties
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2021-12-15
err24
errOAAI
errVainikka, Petteri; Thallmair, Sebastian; Souza, Paulo Cesar Telles; Marrink, Siewert J.
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Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-10-15
err18
errOAAI
errRamirez-Palacios, Carlos; Wijma, Hein J.; Thallmair, Sebastian; Marrink, Siewert J.; Janssen, Dick B.
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Computational Redesign of an ω-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines
errACS CATALYSIS
IF13.1
err2021-08-13
err31
errOAAI
errMeng, Qinglong; Ramirez-Palacios, Carlos; Capra, Nikolas; Hooghwinkel, Mattijs E.; Thallmair, Sebastian; Rozeboom, Henriette J.; Thunnissen, Andy-Mark W. H.; Wijma, Hein J.; Marrink, Siewert J.; Janssen, Dick B.
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Martini 3: a general purpose force field for coarse-grained molecular dynamics
errNATURE METHODS
IF32.1
err2021-03-29
err632
errOAAI
errSouza, Paulo C. T.; Alessandri, Riccardo; Barnoud, Jonathan; Thallmair, Sebastian; Faustino, Ignacio; Grunewald, Fabian; Patmanidis, Ilias; Abdizadeh, Haleh; Bruininks, Bart M. H.; Wassenaar, Tsjerk A.; Kroon, Peter C.; Melcr, Josef; Nieto, Vincent; Corradi, Valentina; Khan, Hanif M.; Domanski, Jan; Javanainen, Matti; Martinez-Seara, Hector; Reuter, Nathalie; Best, Robert B.; Vattulainen, Ilpo; Monticelli, Luca; Periole, Xavier; Tieleman, D. Peter; de Vries, Alex H.; Marrink, Siewert J.
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Protein-ligand binding with the coarse-grained Martini model
errNATURE COMMUNICATIONS
IF15.7
err2020-07-24
err130
errOAAI
errSouza, Paulo C. T.; Thallmair, Sebastian; Conflitti, Paolo; Ramirez-Palacios, Carlos; Alessandri, Riccardo; Raniolo, Stefano; Limongelli, Vittorio; Marrink, Siewert J.
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Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-02-25
err41
errOAAI
errKhan, Hanif M.; Souza, Paulo C. T.; Thallmair, Sebastian; Barnoud, Jonathan; de Vries, Alex H.; Marrink, Siewert J.; Reuter, Nathalie
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Research Directions

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Co-authors
Cooperation Journals
B
Ben L. Feringa
H-index: 147 · Papers: 1.7K
‪
‪Siewert J. Marrink
H-index: 111 · Papers: 737
G
Gerhard Hummer
H-index: 110 · Papers: 730
S
Siewert J. Marrink
H-index: 108 · Papers: 88
D
D. Peter Tieleman
H-index: 92 · Papers: 449
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