| 1 |
Identification of Intrahelical Bifurcated H-Bonds as a New Type of Gate in K+ Channels
Rauh O, Urban M, Henkes LM, Winterstein T, Greiner T, Van Etten JL, Moroni A, Kast SM, Thiel G, Schroeder I
Journal of the American Chemical Society, 139(22), 7494, 2017 |
| 2 |
Bridge function of the repulsive Weeks-Chandler-Andersen (WCA) fluid
Tomazic D, Hoffgaard F, Kast SM
Chemical Physics Letters, 591, 237, 2014 |
| 3 |
Solvation Effects on Chemical Shifts by Embedded Cluster Integral Equation Theory
Frach R, Kast SM
Journal of Physical Chemistry A, 118(49), 11620, 2014 |
| 4 |
Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach
Moss T, Heil J, Kast SM
Journal of Physical Chemistry B, 112(14), 4337, 2008 |
| 5 |
Design of reduced molecular models by integral equation theory
Kast SM, Hauptmann W, Schilling B
Chemical Physics Letters, 418(1-3), 202, 2006 |
| 6 |
Comment on "Comment on'Constant temperature molecular dynamics simulations by means of a stochastic collision model. II. The harmonic oscillator' [J. Chem. Phys. 104, 3732 (1996)]" [J. Chem. Phys. 106, 1646 (1997)]
Kast SM
Journal of Chemical Physics, 120(10), 4991, 2004 |
| 7 |
Integral equation theory for correcting truncation errors in molecular simulations
Kast SM, Schmidt KF, Schilling B
Chemical Physics Letters, 367(3-4), 398, 2003 |
| 8 |
Binary phases of aliphatic N-oxides and water: Force field development and molecular dynamics simulation
Kast KM, Brickmann J, Kast SM, Berry RS
Journal of Physical Chemistry A, 107(27), 5342, 2003 |
| 9 |
Quantum/classical investigation of amide protonation in aqueous solution
Zahn D, Schmidt KF, Kast SM, Brickmann J
Journal of Physical Chemistry A, 106(34), 7807, 2002 |
| 10 |
Hybrid integral equation/Monte Carlo approach to complexation thermodynamics
Schmidt KF, Kast SM
Journal of Physical Chemistry B, 106(24), 6289, 2002 |
