| 2009 |
|---|
| 5 | EE | Stephan Frickenhaus,
Srinivasaraghavan Kannan,
Martin Zacharias:
Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping.
Journal of Computational Chemistry 30(3): 479-492 (2009) |
| 2002 |
|---|
| 4 | EE | Karin Wieligmann,
Luis Felipe Pineda De Castro,
Martin Zacharias:
Molecular dynamics simulations on the free and complexed N-terminal SH2 domain of SHP-2.
In Silico Biology 2: 28 (2002) |
| 2001 |
|---|
| 3 | | Karin Wieligmann,
Luis Felipe Pineda De Castro,
Martin Zacharias:
Conformational preferences of SH2 domains in free and ligand-bound states studied by molecular dynamics simulations.
German Conference on Bioinformatics 2001: 234 |
| 1999 |
|---|
| 2 | EE | Martin Zacharias,
Heinz Sklenar:
Harmonic modes as variables to approximately account for receptor flexibility in ligand-receptor docking simulations: Application to DNA minor groove ligand complex.
Journal of Computational Chemistry 20(3): 287-300 (1999) |
| 1995 |
|---|
| 1 | | Brock A. Luty,
Zelda R. Wasserman,
Pieter F. W. Stouten,
C. Nicholas Hodge,
Martin Zacharias,
James Andrew McCammon:
A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions.
Journal of Computational Chemistry 16(4): 454-464 (1995) |
