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Validation of the GROMOS force-field parameter set 45A3 against nuclear magnetic resonance data of hen egg lysozyme

Soares, T. ; Daura, X. ; Oostenbrink, C. ; Smith, L. ; van Gunsteren, W.

In: Journal of Biomolecular NMR, 2004, vol. 30, no. 4, p. 407-422

Validation of the 53A6 GROMOS force field

Oostenbrink, Chris ; Soares, Thereza ; van der Vegt, Nico ; van Gunsteren, Wilfred

In: European Biophysics Journal, 2005, vol. 34, no. 4, p. 273-284

Toward chemically resolved computer simulations of dynamics and remodeling of biological membranes

Soares, Thereza A. ; Vanni, Stefano ; Milano, Giuseppe ; Cascella, and Michele

In: The Journal of Physical Chemistry Letters, 2017, vol. 8, no. 15, p. 3586–3594

Cellular membranes are fundamental constituents of living organisms. Apart from defining the boundaries of the cells, they are involved in a wide range of biological functions, associated with both their structural and the dynamical properties. Biomembranes can undergo large-scale transformations when subject to specific environmental changes, including gel–liquid phase transitions, change...