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Journal Article (12)

1.
Journal Article
Zhao, Y.; Cortes-Huerto, R.; Kremer, K.; Rudzinski, J. F.: Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. The Journal of Physical Chemistry B 124 (20), pp. 4097 - 4113 (2020)
2.
Journal Article
Heidari, M.; Kremer, K.; Golestanian, R.; Potestio, R.; Cortes Huerto, R.: Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations. The Journal of Chemical Physics 152 (19), 194104 (2020)
3.
Journal Article
Zhao, Y.; Singh, M. K.; Kremer, K.; Cortes-Huerto, R.; Mukherji, D.: Why Do Elastin-Like Polypeptides Possibly Have Different Solvation Behaviors in Water-Ethanol and Water-Urea Mixtures? Macromolecules 53 (6), pp. 2101 - 2110 (2020)
4.
Journal Article
Forero-Martinez, N. C.; Cortes Huerto, R.; Mora Cardozo, J. F.; Ballone, P. A.: 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), pp. 8457 - 8471 (2019)
5.
Journal Article
Heidari, M.; Cortes Huerto, R.; Potestio, R.; Kremer, K.: 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.
Journal Article
Heidari, M.; Cortes-Huerto, R.; Kremer, K.; Potestio, R.: 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.
Journal Article
Heidari, M.; Kremer, K.; Cortes-Huerto, R.; Potestio, R.: Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation 14 (7), pp. 3409 - 3417 (2018)
8.
Journal Article
Heidari, M.; Kremer, K.; Potestio, R.; Cortes-Huerto, R.: Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method. Entropy 20 (4), 222 (2018)
9.
Journal Article
Heidari, M.; Kremer, K.; Potestio, R.; Cortes-Huerto, R.: Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations. Molecular Physics 116 (21-22), pp. 3301 - 3310 (2018)
10.
Journal Article
Cortes Huerto, R.; Kremer, K.; Potestio, R.: Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations. The Journal of Chemical Physics 145 (14), 141103 (2016)
11.
Journal Article
Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.: Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 225 (8-9), pp. 1505 - 1526 (2016)
12.
Journal Article
Cortes-Huerto, R.; Goniakowski, J.; Noguera, C.: Role of the environment in the stability of anisotropic gold particles. Physical Chemistry Chemical Physics 17 (9), pp. 6305 - 6313 (2015)

Book Chapter (1)

13.
Book Chapter
Praprotnik, M.; Cortes Huerto, R.; Potestio, R.; Delle Site, L.: Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, pp. 1 - 15 (Eds. Andreoni, W.; Yip, S.). Springer, Cham (2018)

Meeting Abstract (1)

14.
Meeting Abstract
Zhao, Y.; Cortes Huerto, R.; Kremer, K.; Rudzinski, J. F.: Investigating the Conformational Ensembles of Intrinsically Disordered Proteins with a Simple Physics-Based Model. In Biophysical Journal, 118 3 Ed., 286-Pos, p. 58A. 64th Annual Meeting of the Biophysical-Society, San Diego, CA, February 15, 2020 - February 19, 2020. Cell Press, Cambridge, Mass. (2020)
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