| 14. | Daniel Seeliger and Bert L. de Groot.
Ligand docking and binding site analysis
with PyMOL and Autodock/Vina.
J. Comput.-Aided Mol. Des. 24:417-422 (2010)
|
| 13. | Daniel Seeliger and Bert L. de Groot.
Protein thermostability calculations using
alchemical free energy simulations.
Biophys. J. 98(10):2309-2316 (2010)
|
| 12. | Daniel Seeliger and Bert L. de Groot.
Conformational transitions upon ligand
binding: Holo-structure prediction from
apo conformations.
PLoS Comput. Biol. 6,1:e1000634 (2010)
|
| 11. | Christian M. Stegmann, Daniel Seeliger,
George M. Sheldrick, Bert
L. de Groot and Markus C. Wahl. Thermodynamic influence of trapped water molecules in a protein-ligand interaction.
Angewandte Chemie 48:5207-5210 (2009)
|
| 10. | Markus B. Kubitzki, Bert L. de
Groot and Daniel Seeliger. Protein dynamics:
from structure to function, in
From Protein Structure to Function with
Bioinformatics. Springer (2009)
|
| 9. | Daniel Seeliger and Bert L. de
Groot. tCONCOORD-GUI: Visually supported
conformational sampling of bioactive
molecules. J. Comp. Chem. 30:1160-1166 (2009)
|
| 8. | Ulrich Zachariae, Robert Schneider, Phanindra Velisetty, Adam Lange,
Daniel Seeliger, Sören J. Wacker, Yasmin
Karimi-Nejad, Gert Vriend, Stefan Becker, Olaf
Pongs, Marc Baldus and Bert L. de Groot. The
molecular mechanism of toxin-induced conformational
changes in a potassium channel: relation to C-type
inactivation. Structure 16:747-754
(2008).
|
| 7. | Daniel Seeliger. Geometry-based Conformational Sampling of
Proteins. Dissertation, Universität
Göttingen (2008)
|
| 6. | Daniel Seeliger, Jürgen Haas and Bert L. de
Groot. Geometry-based sampling of conformational
transitions in proteins. Structure 15:1482-1492 (2007)
|
| 5. | Daniel Seeliger and Bert L. de Groot. Atomic contacts in protein structures. A detailed analysis of atomic radii, packing and overlaps. Proteins 68:595-601 (2007).
|
| 4. | Daniel Seeliger and Bert L. de Groot. Prediction of protein flexibility from geometrical constraints. Biotech International 18:20-22 (2006).
|
| 3. | Daniel Seeliger, Christoph Hartnig and Eckhard Spohr. Aqueous pore structure and proton dynamics in solvated Nafion membranes. Electrochimica Acta 50,21: 4234-4240 (2005).
|
| 2. | Peter Commer, Christoph Hartnig, Daniel Seeliger and Eckhard Spohr. Modeling of Proton
Transfer in Polymer Electrolyte Membranes on
Different Time and Length Scales. Molecular
Simulation 30,11-12:755-763 (2004).
|
| 1. | Daniel Seeliger. Computersimulation
von protonierten
Nafion/Wasser-Systemen. Diplomarbeit,
Universität Ulm (2003).
|
