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Zeitschriftenartikel (12)
1.
Zeitschriftenartikel
124 (20), S. 4097 - 4113 (2020)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. The Journal of Physical Chemistry B 2.
Zeitschriftenartikel
152 (19), 194104 (2020)
Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations. The Journal of Chemical Physics 3.
Zeitschriftenartikel
53 (6), S. 2101 - 2110 (2020)
Why Do Elastin-Like Polypeptides Possibly Have Different Solvation Behaviors in Water-Ethanol and Water-Urea Mixtures? Macromolecules 4.
Zeitschriftenartikel
123 (40), S. 8457 - 8471 (2019)
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 5.
Zeitschriftenartikel
151 (14), 144105 (2019)
Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics 6.
Zeitschriftenartikel
41 (5), 64 (2018)
Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations. European Physical Journal E 7.
Zeitschriftenartikel
14 (7), S. 3409 - 3417 (2018)
Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation 8.
Zeitschriftenartikel
20 (4), 222 (2018)
Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method. Entropy 9.
Zeitschriftenartikel
116 (21-22), S. 3301 - 3310 (2018)
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations. Molecular Physics 10.
Zeitschriftenartikel
145 (14), 141103 (2016)
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations. The Journal of Chemical Physics 11.
Zeitschriftenartikel
225 (8-9), S. 1505 - 1526 (2016)
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 12.
Zeitschriftenartikel
17 (9), S. 6305 - 6313 (2015)
Role of the environment in the stability of anisotropic gold particles. Physical Chemistry Chemical Physics 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
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)
Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. In Biophysical Journal,