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Number of items: 21.

Tayefeh, Sascha and Kloss, T. and Thiel, Gerhard and Hertel, Brigitte and Moroni, Anna and Kast, Stefan Michael (2007):
Molecular dynamics simulation of the cytosolic mouth in Kcv-type potassium channels.
In: Biochemistry, 46. pp. 4826-4839, [Article]

Kast, Stefan Michael and Hauptmann, Wilf and Schilling, B. (2006):
Design of reduced molecular models by integral equation theory.
In: Chemical Physics Letters, 418. pp. 202-207, [Article]

Hertel, Brigitte and Tayefeh, Sascha and Mehmel, Mario and Kast, Stefan Michael and Etten, James L. van and Moroni, Anna and Thiel, Gerhard (2006):
Elongation of outer transmembrane domain alters function of miniature K+ channel Kcv.
In: Journal of membrane biology, 210. pp. 21-29, [Article]

Kast, K. M. and Brickmann, Jürgen and Kast, Stefan Michael and Berry, R. S. (2003):
Binary phases of alipatic N-oxides and water : force field development and molecular dynamics simulation.
In: Journal of physical chemistry A, 107. pp. 5342-5351, [Article]

Kast, Stefan Michael (2003):
Free energies from integral equation theories : enforcing path independence.
In: Physica review E, 67pp. 041203, [Article]

Kast, Stefan Michael and Schmidt, Karl Friedemann and Schilling, Bernd (2003):
Integral equation theory for correcting truncation errors in molecular simulations.
In: Chemical Physics Letters, 367. pp. 398-404, [Article]

Jäger, Robert and Kast, Stefan Michael and Brickmann, Jürgen (2003):
Parametrization strategy for the MOIFESD concept : quantitative surface representation of local hydrophobicity.
In: Journal of chemical information and computer sciences, 43. pp. 237-247, [Article]

Hauptmann, Sven and Dufner, H. and Brickmann, Jürgen and Kast, Stefan Michael and Berry, S. M. (2003):
Potential energy function for apatites.
In: Physical chemistry chemical physics, 5. pp. 635-639, [Article]

Müller, M. and Kast, Stefan Michael and Bär, Hans-Jürgen and Brickmann, Jürgen (2003):
Thionine in zeolite NaY : potential energy surface analysis and the identification of adsorption sites.
In: Host guest systems based on nanoporous crystals / Franco Laeri ... (eds.).- Weinheim : Wiley-VCH, 2003, S. 324-338, Wiley-VCH, [Article]

Kast, Stefan Michael (2002):
Efficient quantitative prediction of structural and thermodynamic condensed phase properties.
Darmstadt, Technische Univ. Darmstadt, [Habilitation]

Zahn, Dirk and Schilling, Bernd and Kast, Stefan Michael (2002):
Enhancement of the Wolf damped Coulomb potential : static, dynamic, and dielectric properties of liquid water from molecular simulation.
In: Journal of physical chemistry B, 106. pp. 10725-10732, [Article]

Schmidt, Karl Friedemann and Kast, Stefan Michael (2002):
Hybrid integral equation/MonteCarlo approach to complexation thermodynamics.
In: Journal of physics B, 106. pp. 6289-6297, [Article]

Zahn, Dirk and Schmidt, Karl Friedemann and Kast, Stefan Michael and Brickmann, Jürgen (2002):
Quantum/classical investigation of amide protonation in aqueous solution.
In: Journal of physical chemistry A, 106. pp. 7807-7812, [Article]

Müller, Marco and Kast, Stefan Michael and Bär, Hans-Jürgen and Brickmann, Jürgen (2002):
Theoretical study of adsorption sites and thermodynamics of thionic in zeolite NaY.
In: Physical chenistry chemical physics (PCCP), 4. pp. 4212-4217, [Article]

Kast, Stefan Michael (2001):
Combinations of simulation and integral equation theory.
In: Physical chemistry chemical physics, 3pp. 5087-5092, [Article]

Jäger, Robert and Kast, Stefan Michael (2001):
Fast prediction of hydration free energies from molecular interaction fields.
In: Journal of molecular graphics and modelling, 20. pp. 123-131, [Article]

Marhöfer, Richard J. and Kast, K. M. and Schilling, B. and Bär, H.-J. and Kast, Stefan Michael and Brickmann, J. (2000):
Molecular dynamics simulations of tertiary systems of cellohexaose/aliphatic N-oxide/water.
In: Macromolecular chemistry and physics, 201pp. 2003-2007, [Article]

Müller, Marco and Bär, H.-J. and Kast, Stefan Michael and Brickmann, J. (1999):
Ab initio localization of adsorption sites in guest/host systems: application to the system thionine in zeolite NaY.
In: Chemical physics letters, 311pp. 485-490, [Article]

Dufner, H. and Schlenkrich, and Kast, Stefan Michael and Brickmann, J. (1997):
Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: a quantitative study.
In: Journal of computational chemistry. 18 (1997), S. 660-676, [Article]

Kast, Stefan Michael and Berry, and Brickmann, J. (1997):
The interplay between quantum chemistry and molecular dynamics simulations.
Dordrecht: Kluwer, 1997,
Dordrecht, Kluwer, [Other]

Zachmann, Carl-Dieter and Kast, Stefan Michael and Brickmann, J. (1995):
Quantification and visualization of molecular surface flexibility.
In: Journal of molecular graphics. 13 (1995), S. 89-97, [Article]

This list was generated on Sat Oct 24 02:10:49 2020 CEST.