Area of research
Molecular Biology · Materials Chemistry
Research interest
Research interests include Chemistry, Molecular dynamics, Biophysics, Ion, Ion channel, and KcsA potassium channel.
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding
Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations
Direct Detection of Bound Ammonium Ions in the Selectivity Filter of Ion Channels by Solid-State NMR
Alchemical absolute protein–ligand binding free energies for drug design
Structure, gating and interactions of the voltage-dependent anion channel
Structural plasticity of the selectivity filter in a nonselective ion channel
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL
The conduction pathway of potassium channels is water free under physiological conditions
Identification of kinetic order parameters for non-equilibrium dynamics
A single NaK channel conformation is not enough for non-selective ion conduction
Conotoxin κM-RIIIJ, a tool targeting asymmetric heteromeric K <sub>v</sub> 1 channels
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Molecular driving forces defining lipid positions around aquaporin-0
Molecular Dynamics in Principal Component Space