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Zeitschriftenartikel (12)
1.
Zeitschriftenartikel
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. The Journal of Physical Chemistry B 124 (20), S. 4097 - 4113 (2020)
2.
Zeitschriftenartikel
Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations. The Journal of Chemical Physics 152 (19), 194104 (2020)
3.
Zeitschriftenartikel
Why Do Elastin-Like Polypeptides Possibly Have Different Solvation Behaviors in Water-Ethanol and Water-Urea Mixtures? Macromolecules 53 (6), S. 2101 - 2110 (2020)
4.
Zeitschriftenartikel
Surface of half-neutralized diamine triflate ionic liquids. A molecular dynamics study of structure, thermodynamics, and kinetics of water absorption and evaporation. The Journal of Physical Chemistry B 123 (40), S. 8457 - 8471 (2019)
5.
Zeitschriftenartikel
Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics 151 (14), 144105 (2019)
6.
Zeitschriftenartikel
Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations. European Physical Journal E 41 (5), 64 (2018)
7.
Zeitschriftenartikel
Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation 14 (7), S. 3409 - 3417 (2018)
8.
Zeitschriftenartikel
Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method. Entropy 20 (4), 222 (2018)
9.
Zeitschriftenartikel
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations. Molecular Physics 116 (21-22), S. 3301 - 3310 (2018)
10.
Zeitschriftenartikel
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations. The Journal of Chemical Physics 145 (14), 141103 (2016)
11.
Zeitschriftenartikel
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 225 (8-9), S. 1505 - 1526 (2016)
12.
Zeitschriftenartikel
Role of the environment in the stability of anisotropic gold particles. Physical Chemistry Chemical Physics 17 (9), S. 6305 - 6313 (2015)
Buchkapitel (1)
13.
Buchkapitel
Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, S. 1 - 15 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2018)
Meeting Abstract (1)
14.
Meeting Abstract
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. In Biophysical Journal, 118 3 Aufl., 286-Pos, S. 58A. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, 15. Februar 2020 - 19. Februar 2020. Cell Press, Cambridge, Mass. (2020)