PhD dissertations:
Simulations of Proton Transfer Processes using Reactive Force Fields Sven Lammers December, 2006
Molecular dynamics of bimolecular reactions. The equilibrium constant of dimerisation of carbon dioxide. Rebinding molecular dynamics of nitric oxide to the V68F myoglobin mutant Stefka Tsintsarska March, 2007
Protein allostery. Computational characterization of diguanylate cyclase PleD. Franziska Schmid 2009
Distributed multipole moments in atomistic force fields. Implementation and applications. Nuria Plattner 2009
Computational Investigation of Conformational and Spectroscopic Substates in Neuroglobin. Stephan Lutz 2011
Proton Transfer and Hydrogen Bonding in Chemical and Biological Systems: A Force Field Approach. Jing Huang 2011




Master/Diploma Theses:
Combining MD Simulations and NMR Data Analysis of Hydrogen Bonding in Small Proteins and Refinement of Force Field Parameters Franziska Schmid July, 2004
An Analysis of the Chemical and 3D Structural Diversity of CDK2 Ligand-Protein Complexes with Implications for Virtual Screening Nuria Plattner 2005
Computational Study of the Dimerization of Insulin. Evaluating the Effect of Mutations at Position B24 Manuela Koch April, 2006
Studying Reactive Processes with Classical Force Fields: Application to Chemically and Biologically Relevant Problems Stephan Lutz July, 2006
Rebinding Dynamics in Myoglobin-CO using Reactive Molecular Dynamics and Ab Initio Calculation for the Calculation of the Potential Barrier Pascal Steiner August, 2007
Structure-Based Design of Novel Peptide Purification Tags Tobias Schmidt October, 2007
Atomistic Simulations of Chromatographic Interfaces Joerg Braun January, 2008
Investigation of Allostery and Cooperativity by Molecular Dynamics Simulations Stephan Steinmann October, 2008
Implementation of Fast Converging FPI Methods and Application to Hydrate Compounds Andreas Meier November, 2011




Semesterwork/Wahlpraktikum:
Investigation of the Active Site of Human Cytochrome P450 2C9 Franziska Schmid February, 2004
Redoxcoupled proton transfer in Azotobacter vinelandii Feredoxin I Manuela Koch May, 2005
Computational inverstigation of 15NH...O13C scalar couplings - dependence on charges and geometry Martin Gentner March, 2007
Report for the Wahlpraktikum Joerg Braun June, 2007
HIV Sampler Maurus Schmid November, 2007
Path integral simulations of mixed rare gas clusters and He solvated hydrogen molecular ions Alex Willand December, 2007
Report for the Wahlpraktikum Stephan Steinmann January, 2008
Equilibrium and Decomposition Studies of Carbon Monoxide, Nitrogen and Oxygen Clathrate Hydrates Tobias Bandi March, 2008
Ligand Chemistry of Truncated Hemoglobin Christian W├Ąckerlin June, 2008
Simulations of Chromatographic Interfaces and Model for Coarse Grained Water with implemented Dipole Potential Raphael Grueter August, 2008
Towards a quaternion-based multipole simulation model Sonja Schmid August, 2009



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