D. Mercadante#, J.A. Wagner, I. Valle Aramburu, E.A. Lemke, F. Gräter (2017). Sampling long versus short range interactions defines the ability of force fields to reproduce the dynamics of intrinsically disordered proteins
Journal of Chemical Theory and Computation, August 14, 2017.

G. Fuertes, N. Banterle, K. M. Ruff, A. Chowdhury, D. Mercadante, C. Koehler, M. Kachala, G.E. Girona, S. Milles, A. Mishra, P.R. Onck, F. Gräter, S. Esteban-Martín, R.V. Pappu, D.I. Svergun, E.A. Lemke (2017).
Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements
Proceedings of the National Academy of Sciences, July 17, 2017 pp. E6342–E6351

A.H. Irani, J. L. Owen, D. Mercadante, and M.A.K. Williams (2017).
Molecular dynamics simulations illuminate the role of counterion condensation in the electrophoretic transport of homogalacturonans
Biomacromolecules January, 6 2017.

L. Hocq, F. Sénéchal, V. Lefebvre, J. M. Domon, J.C. Mollet, J. Dehors, K. Pageau, P. Marcelo, F. Guerineau, K. Kolsek, D. Mercadante*, J. Pelloux (2016).
Combined Experimental and computational approaches reveal distinct pH-dependence of pectin methyl esterase inhibitors
Plant Physiology December 29, 2016 pp.01790.2016

C. K. Dugard, R. A. Mertz, C. Rayon, D. Mercadante, C. Hart, M. R. Benatti, A. T. Olek, P. J. SanMiguel, B. R. Cooper, W. Reiter, M. C. McCann, and N. C. Carpita (2016).
The cell wall arabinose-deficient Arabidopsis thaliana mutant murus5 encodes a defective allele of Reversibly Glycosylated Polypeptide.
Plant Physiology May 23, 2016 pp.01922.2015

A. Tursch, D. Mercadante, J. Tennigkeit, F. Gräter, S. Özbek (2016).
Minicollagen cysteine-rich domains encode distinct modes of polymerization to form stable nematocyst capsules.
Scientific Reports 6, Article number: 25709

L. Kent, T. S. Loo, L. D. Melton, D. Mercadante, M. A. K. Williams, G. B. Jameson (2016).
Structure and Properties of Non-Processive, Salt-Requiring, Acidophilic Pectin Methylesterases from Aspergillus niger Provides Insights into the Key Determinants of Processivity Control.
Journal of Biological Chemistry. 291(3); 1289-306

S. Milles*, D. Mercadante*, I. V. Aramburu*,M. R. Jensen, N. Banterle, C. Koehler, J. Clarke,S. Shammas, M. Blackledge, F. Gräter, E. A Lemke (2015).
Plasticity of an ultrafast interaction mechanism between nucleoporins and transport receptors.
Cell. 163(3); 734-74

J. Wagner, D. Mercadante, I. Nikič, E. A. Lemke, F. Gräter (2015).
Principles of bio-orthogonality in strain-promoted click reactions.
Chemistry: A European Journal 21(35); 12431-5

D. Mercadante#, S. Milles, G. Fuertes, D. I. Svergun, E. A. Lemke, F. Gräter (2015).
Kirkwood-Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields.
Journal of Physical Chemistry B. 119 (25); 7975–84.

A. Beckmann, S. Xiao, J. P. Müller, D. Mercadante, T. Nüchter, N. Kröger, F. Langhojer, W. Petrich, T. Holstein, M. Benoit, F. Gräter and S. Uzbek (2015).
A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge.
BMC Biology. 13:3

D. Mercadante, L. D. Melton, G. B. Jameson, and M. A. K. Williams (2014).
Processive Pectin Methylesterases: The Role of Electrostatic Potential, BreathingMotions and Bond Cleavage in the Rectification of Brownian Motions.
PLoS One 9(2); e87581


D. Mercadante#, L. D. Melton, G. B. Jameson, M. A. K. Williams and A. De Simone (2013).
Substrate Dynamics in Enzyme Action: Rotations of Monosaccharide Subunits in the Binding Groove are Essential for Pectin Methylesterase Processivity.
Biophysical Journal 104(8); 1731-9
Featured paper on Biophysical Journal cover.

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D. Mercadante, L. D. Melton, T. S. Loo, G. Norris, M. A. K. Williams, R. Dobson and G. B. Jameson (2012).
Bovine β-lactoglobulin is dimeric under imitative physiological conditions: dissociation equilibrium and rate constants over the pH range 2.5 to 7.5.
Biophysical Journal 103(2);303-12
Featured paper on Biophysical Journal cover.

Read more about it in a dedicated blog of the Biophysical Society available here!


* shared first or last authorship

#corresponding authorship