Publications of Maarten G. Wolf

Valiente, P. A.; Guerra, Y.; Wolf, M. G.; Pascual, I.; Rudiño-Piñera, E.; Florent, I.; Pons, T.; Groenhof, G.: Discovery of a Noncompetitive Open-Flap Selective Inhibitor of Plasmepsin II with Antiplasmodial Activity. Journal of Chemical Information and Modeling 65 (4), pp. 2038 - 2051 (2025)

Wolf, M. G.; Grubmüller, H.; Groenhof, G.: Anomalous surface diffusion of protons on lipid membranes. Biophysical Journal 107 (1), pp. 76 - 87 (2014)

Wolf, M. G.; Groenhof, G.: Explicit proton transfer in classical molecular dynamics simulations. Journal of Computational Chemistry 35 (8), pp. 657 - 671 (2014)

Hub, J. S.; Wolf, M. G.; Caleman, C.; Maaren, P. J.; Groenhof, G.; van der Spoel, D.: Thermodynamics of hydronium and hydroxide surface solvation. Chemical Science 5 (5), pp. 1745 - 1749 (2014)

Wolf, M. G.; Groenhof, G.: Evaluating nonpolarizable nucleic acid force fields: A systematic comparison of the nucleobases hydration free energies and water-chloroform partition coefficients. Journal of Computational Chemistry 33 (28), pp. 2225 - 2232 (2012)

Lopez, M.; Vu, H.; Wang, C. K.; Wolf, M. G.; Groenhof, G.; Innocenti, A.; Supuran, C. T.; Poulsen, S. A.: Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors. Journal of the American Chemical Society 133 (45), pp. 18452 - 18462 (2011)

Flores, P. A. V.; Wolf, M. G.; Guerra, Y.; Pascual, I.; Florent, I.; Rudino, E.; Pascutti, P. G.; Pons, T.; Groenhof, G.: Use of principal component analysis and molecular docking to identify novel selective Plasmepsin II non-competitive inhibitors with antimalarial activity. 29th Annual Symposium of the Protein-Society, Barcelona/Spain, July 22, 2015 - July 25, 2015. Protein Science 24 (Suppl. 1), p. 21 - 21 (2015)

Valiente, P. A.; Wolf, M. G.; Guerra, Y.; Sierra, Y.; Wacker, S.; Pascual, I.; Pons, T.; Groenhof, G.: Use of principal component analysis and molecular docking to identify novel selective plasmepsin II inhibitors. In FEBS Journal, 279 (Supplement 1), p. 447 - 447. 22nd IUBMB Congress/37th FEBS Congress, Seville/Spain, September 04, 2012 - September 09, 2012. (2012)