Forschungseinheit

Han Sun

Strukturchemie und Computergestützte Biophysik

[Translate to Deutsch:] Portrait

Unsere Gruppe untersucht die Struktur von arzneimittelähnlichen Molekülen und charakterisiert ihre Wechselwirkungen mit Proteinen. Wir wenden eine Vielzahl von experimentellen und rechnerischen Methoden an, darunter NMR-Spektroskopie und Molekulardynamiksimulationen.


Profil

Wir nutzen integrierte computerbasierte und experimentelle Ansätze, um Mechanismen des Membrantransports im Detail zu verstehen und somit pharmakologisch in relevante Krankheitsprozesse eingreifen zu können.

Research activities

Our research focuses on understanding membrane transport mechanisms at the atomistic scale and rationally designing tool compounds for pharmacological intervention. Biological membranes serve as central barriers that separate the extracellular and intracellular environments, as well as the major compartments within cells. Understanding how ions, substrates, drugs, and delivery systems move across these membranes is not only crucial for elucidating physiological processes and disease mechanisms but also essential for developing drug-like molecules and improving drug delivery strategies. On the theoretical side, our group develops and applies advanced molecular modeling techniques, state-of-the-art molecular dynamics (MD), quantum mechanics/molecular mechanics (QM/MM) simulations, and machine learning. Experimentally, we develop novel solution NMR-based methods to probe the conformational dynamics and molecular interactions of both organic molecules and biomolecules.

Funding

  • Rational design of bioactive and cell-penetrating peptides with enhanced cellular transport and uptake properties, Graduate School "SynPepBio", 2023-2028.
  • Proton Permeation Pathway and Ion Selectivity of Viroporins Investigated by Atomistic Molecular Dynamics Simulations: SFB1078, 2021-2024.
  • Ion Selectivity and Conduction Mechanism of Cation Channels Investigated by Molecular Dynamics Simulations and Solid-State NMR Spectroscopy: Together with Prof. Adam Lange (FMP), Prof. Bert de Groot and Dr. Wojciech Kopec (Max Planck Institute for Biophysical Chemistry, Göttingen) within the program Leibniz-Kooperative Exzellenz, 2021-2023.
  • Dynamics of ion permeation in AMPA receptors: Together with Dr. Andrew Plested (FMP) in a project within Forschergruppe 2518, 2017-2020.
  • Stereochemistry and RDC analysis: Together with Prof. Michael Reggelin (TU Darmstadt) and Prof. Xinxiang Lei (South-Central University for Nationalities, China) in a joint German-Sino research project (GZ1289), 2017-2019.
  • Stipend of the Christiane Nüsslein-Volhard Foundation, 2018-2019.
  • Investigation of the local electric field and functional dynamics in enzymatic processes by MD simulations: Together with Dr. Tillmann Utesch in a project within the Excellence Cluster UniSysCat (Unifying Systems in Catalysis), 2019-2022.
  • New materials and strategies for NMR based structural elucidation of organic molecules: DFG/CAPES, 2019-2021.
  • Ion Permeation in Potassium Selective and Non-selective Cation Channels: Together with Prof. Andrew Plested (FMP/Humboldt University) in a project within Forschergruppe 2518, 2020-2023.

Badges

Kontakt

Kontakt Sekretariat

Dajana Baudach

Sekretariat, Sun Gruppe,
Sekretariat Nazaré Gruppe


Forschungsbereich

Chemische Biologie

Gruppenmitglieder

 Personen

Positionalphabetisch

Alumni