Publications of the Department (MPG.PuRe list)

Miao, M.; Makarov, D. E.; Blom, K.: Nonequilibrium statistical mechanics of money/energy exchange models. Journal of Physics A 57 (15), 155003 (2024)

Zhao, X.; Hartich, D.; Godec, A.: Emergence of Memory in Equilibrium versus Nonequilibrium Systems. Physical Review Letters 132 (14), 147101 (2024)

Gersteuer, F.; Morici, M.; Gabrielli, S.; Fujiwara, K.; Safdari, H. A.; Paternoga, H.; Bock, L. V.; Chiba, S.; Wilson, D. N.: The SecM arrest peptide traps a pre-peptide bond formation state of the ribosome. Nature Communications 15, 2431 (2024)

Morici, M.; Gabrielli, S.; Fujiwara, K.; Paternoga, H.; Beckert, B.; Bock, L. V.; Chiba, S.; Wilson, D. N.: RAPP-containing arrest peptides induce translational stalling by short circuiting the ribosomal peptidyltransferase activity. Nature Communications 15, 2432 (2024)

Wilson, C. J.; de Groot, B. L.; Gapsys, V.: Resolving coupled pH titrations using alchemical free energy calculations. Journal of Computational Chemistry (2024)

Gomez, A.; Tinzl, M.; Stoffel, G.; Westedt, H.; Grubmüller, H.; Erb, T.J.; Vöhringer-Martinez, E.; Stripp, S.T.: Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase. Chemical Science 15, pp. 4960 - 4968 (2024)

Huang, P.; Abacka, H.; Wilson, C. J.; Wind, M. L.; Rutzler, M.; Hagstroem-Andersson, A.; Gourdon, P.; de Groot, B. L.; Venskutonyte, R.; Lindkvist-Petersson, K.: Molecular basis for human aquaporin inhibition. PNAS 121 (7), e2319682121 (2024)

Petrov, D.; Perthold, J.W.; Oostenbrink, C.; de Groot, B. L.; Gapsys, V.: Guidelines for Free-Energy Calculations Involving Charge Changes. Journal of Chemical Theory and Computation 20 (2), pp. 914 - 925 (2024)

Clarke, A.; Farr, C. V.; El-Kasaby, A.; Szöllősi, D.; Freissmuth, M.; Sucic, S.; Stockner, T.: Probing binding and occlusion of substrate in the human creatine transporter-1 by computation and mutagenesis. Protein Science 33 (1), e4842 (2024)

Ibáñez, M.; Dieball, C.; Lasanta, A.; Godec, A.; Rica, R. A.: Heating and cooling are fundamentally asymmetric and evolve along distinct pathways. Nature Physics 20, pp. 135 - 141 (2024)