Han Sun

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.

Wissenschaftliche Fragestellungen

Our research interests focus on the development and application of molecular modelling, molecular dynamics simulations together with other chem- and bioinformatic tools for designing novel bioactive molecules, and the characterization of their interactions with biological targets. On the experimental side, we are actively involved in the development of novel NMR-based methods for studying structure and stereochemistry of challenging natural products and drug-like molecules, which is still one of the major bottlenecks in drug discovery.

Link zum Video: https://www.fmp.de/Data/Chemical_biology/Han_Sun/Images/41467_2018_3179_MOESM3_ESM.mp4

Projects

Structural and functional characterization of small-molec
Structural characterization of ligand binding is an essential process in structure-based drug design

Permeation and gating of ion channels
By using molecular dynamics (MD) based computational simulations we aim to understand how the ions pass through the channels.

Figure 3. Thermodynamic cycle employed in the relative free energy calculations.

Free energy calculations for drug design

Non-bonded interactions for protein-ligand binding

Figure 5. Schematic representation of the stereochemical elucidation of Sarcomililate A using RDC-enhanced NMR analysis.

Structure and stereochemistry of natural products

Database of Available Chemical Substances

Gruppenleiterin

Über Han Sun

Han Sun hat Chemie an der Nankai-Universität in China und der Georg-August-Universität Göttingen in Deutschland studiert. Sie erhielt ihren Doktortitel im Jahr 2013 am Max-Planck-Institut für Biophysikalische Chemie, wo sie anschließend als Postdoktorandin in zwei verschiedenen Forschungsgruppen tätig war. Seit 2017 arbeitet sie am Leibniz-Forschungsinstitut für Molekulare Pharmakologie, zunächst als Projektleiterin und seit 2020 als Leiterin der Forschungsgruppe "Strukturchemie und Computergestützte Biophysik". Zusätzlich ist sie seit 2022 als W2-Professorin an der Technischen Universität Berlin tätig.

Publications

Papers and Reviews
Find a list of our Publications

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.