Frauke Gräter

36PUBLICATIONS

71CO-AUTHORS

Theory and design of materialsChemical thermodynamics and energeticsSimulation, modelling, and programming of mechatronics systemsComputational chemistryMolecular and organic electronics

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Publications (36)

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|Jun 23, 2026

Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrils.

|Jun 15, 2026

SITH: A quantum-chemical framework for predicting bond destabilization in stretched molecules.

|Apr 14, 2026

KIMMDY: a biomolecular reaction emulator.

Eric Hartmann, Jannik Buhr, Kai Riedmiller

|Apr 09, 2026

Learning potential energy surfaces of hydrogen atom transfer reactions in peptides.

Marlen Neubert, Patrick Reiser, Frauke Gräter

|Mar 25, 2026

Precise Mechanochemical Scission of DNA Guided by Secondary Structures.

Johannes Hahmann, Arjuna Selvakumar, Boris N Schüpp

|Feb 23, 2026

Coarse-Grained Martini 3 Model of Chondroitin Sulfate A.

Paulius Greicius, Frauke Gräter, Fabian Grünewald

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Frequent Collaborators

7 joint publications

Camilo Aponte-Santamaría

Kai Riedmiller

Pascal Friederich

Tobias P Dick

Johannes A Wagner

Konstantinos Gkagkas

Debora Monego

Uladzimir Barayeu

Thomas F Prisner

Marcus Elstner

Frequent Collaborators

7 joint publications

Camilo Aponte-Santamaría

6 joint publications

Kai Riedmiller

3 joint publications

Pascal Friederich

2 joint publications

Tobias P Dick