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 Wäckerlin	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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