2007

Tayefeh, Sascha ; Kloss, T. ; Thiel, Gerhard ; Hertel, Brigitte ; Moroni, Anna ; Kast, Stefan Michael (2007)
Molecular dynamics simulation of the cytosolic mouth in Kcv-type potassium channels.
In: Biochemistry, 46
Artikel, Bibliographie

2006

Kast, Stefan Michael ; Hauptmann, Wulf ; Schilling, Bernd (2006)
Design of reduced molecular models by integral equation theory.
In: Chemical Physics Letters, 418 (1-3)
doi: 10.1016/j.cplett.2005.10.125
Artikel, Bibliographie

Hertel, Brigitte ; Tayefeh, Sascha ; Mehmel, Mario ; Kast, Stefan Michael ; Etten, James L. van ; Moroni, Anna ; Thiel, Gerhard (2006)
Elongation of outer transmembrane domain alters function of miniature K+ channel Kcv.
In: Journal of membrane biology, 210
Artikel, Bibliographie

2003

Kast, K. M. ; Brickmann, Jürgen ; Kast, Stefan Michael ; 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
Artikel, Bibliographie

Kast, Stefan Michael (2003)
Free energies from integral equation theories : enforcing path independence.
In: Physica review E, 67
Artikel, Bibliographie

Kast, Stefan Michael ; Schmidt, Karl Friedemann ; Schilling, Bernd (2003)
Integral equation theory for correcting truncation errors in molecular simulations.
In: Chemical Physics Letters, 367
Artikel, Bibliographie

Jäger, Robert ; Kast, Stefan Michael ; Brickmann, Jürgen (2003)
Parametrization strategy for the MOIFESD concept : quantitative surface representation of local hydrophobicity.
In: Journal of chemical information and computer sciences, 43
Artikel, Bibliographie

Hauptmann, Sven ; Dufner, H. ; Brickmann, Jürgen ; Kast, Stefan Michael ; Berry, S. M. (2003)
Potential energy function for apatites.
In: Physical chemistry chemical physics, 5
Artikel, Bibliographie

Müller, M. ; Kast, Stefan Michael ; Bär, Hans-Jürgen ; 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
Artikel, Bibliographie

2002

Kast, Stefan Michael (2002)
Efficient quantitative prediction of structural and thermodynamic condensed phase properties.
Habilitation, Bibliographie

Zahn, Dirk ; Schilling, Bernd ; 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
Artikel, Bibliographie

Schmidt, Karl Friedemann ; Kast, Stefan Michael (2002)
Hybrid integral equation/MonteCarlo approach to complexation thermodynamics.
In: Journal of physics B, 106
Artikel, Bibliographie

Zahn, Dirk ; Schmidt, Karl Friedemann ; Kast, Stefan Michael ; Brickmann, Jürgen (2002)
Quantum/classical investigation of amide protonation in aqueous solution.
In: Journal of physical chemistry A, 106
Artikel, Bibliographie

Müller, Marco ; Kast, Stefan Michael ; Bär, Hans-Jürgen ; Brickmann, Jürgen (2002)
Theoretical study of adsorption sites and thermodynamics of thionic in zeolite NaY.
In: Physical chenistry chemical physics (PCCP), 4
Artikel, Bibliographie

2001

Kast, Stefan Michael (2001)
Combinations of simulation and integral equation theory.
In: Physical chemistry chemical physics, 3
Artikel, Bibliographie

Jäger, Robert ; Kast, Stefan Michael (2001)
Fast prediction of hydration free energies from molecular interaction fields.
In: Journal of molecular graphics and modelling, 20
Artikel, Bibliographie

2000

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

1999

Müller, Marco ; Bär, H.-J. ; Kast, Stefan Michael ; 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, 311
Artikel, Bibliographie

1997

Dufner, H. ; Schlenkrich, ; Kast, Stefan Michael ; 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
Artikel, Bibliographie

Kast, Stefan Michael ; Berry, R. S. ; Brickmann, J.
Hrsg.: Calais, Jean-Louis (1997)
The interplay between quantum chemistry and molecular dynamics simulations.
In: Conceptual perspectives in quantum chemistry
Buchkapitel, Bibliographie

1995

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