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Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation2025 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access
Thor van Heesch, Sudhanshu Sharma, Bert van Erp, Alberto Pérez de Alba Ortíz, Remus Thei Dame, Jocelyne Vreede, +1 more
2citations -
Interaction of bioactive kaempferol with HMGB1: Investigation by multi-spectroscopic and molecular simulation methods2023 Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy article Biochemistry, Genetics and Molecular Biology Protein Interaction Studies and Fluorescence Analysis
Pingping Shen, Yueming Sun, Xuewa Jiang, Xiaoyang Zhou, Binbin Nian, Weiwei Wang, +1 more
6citations -
Dependence of Oxygen Diffusion on the La and Sr Configuration in Melilite-Type La 1+ x Sr 1– x Ga 3 O 7+ x /2 by Neural Network Potential Molecular Dynamics Simulation2024 The Journal of Physical Chemistry C article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Tsubasa Koyama, Masanobu Nakayama, Judith Schuett, Steffen Grieshammer
3citations -
kMap.py: A Python program for simulation and data analysis in photoemission tomography2020 arXiv (Cornell University) preprint Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
23citations -
kMap.py: A Python program for simulation and data analysis in photoemission tomography2021 Computer Physics Communications article Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
1citations -
CGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations2020 Molecules article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Alessandro Marchetto, Zeineb Si Chaib, Carlo Alberto Rossi, Rui Pedro Ribeiro, Sergio Pantano, Giulia Rossetti, +1 more
21citations -
Watching Molecular Nanotubes Self-Assemble in Real Time2023 Journal of the American Chemical Society article Materials Science Supramolecular Self-Assembly in Materials Open access
Marìck Manrho, Sundar Raj Krishnaswamy, Björn Kriete, Ilias Patmanidis, Alex H. de Vries, Siewert J. Marrink, +3 more
11citations -
Flexibility of the TRMT10C N-Terminal Domain Helix Explored by Molecular Dynamics Simulations2026 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Gia Linh Hoang, Giulia Rossetti, Carine Tisné, Paolo Carloni
0citations