Gomez-Flores, C. L.; Maag, D.; Kansari, M.; Vuong, V. Q.; Irle, S.; Gräter, F.; Kubar, T.; Elstner, M.: Accurate Free Energies for Complex Condensed-Phase Reactions Using an Artificial Neural Network Corrected DFTB/MM Methodology. Journal of Chemical Theory and Computation 18 (2), pp. 1213 - 1226 (2022)

Huck, V.; Chen, P. C.; Xu, E. R.; Tischer, A.; Klemm, U.; Aponte-Santamaria, C.; Mess, C.; Obser, T.; Kutzki, F.; Konig, G. et al.; Denis, C. V.; Gräter, F.; Wilmanns, M.; Auton, M.; Schneider, S. W.; Schneppenheim, R.; Hennig, J.; Brehm, M. A.: Gain-of-Function Variant p.Pro2555Arg of von Willebrand Factor Increases Aggregate Size through Altering Stem Dynamics. Thrombosis and Haemostasis 122 (2), pp. 226 - 239 (2022)

Martin, I. M.; Aponte-Santamaria, C.; Schmidt, L.; Hedtfeld, M.; Iusupov, A.; Musacchio, A.; Gräter, F.: Phosphorylation tunes elongation propensity and cohesiveness of INCENP's intrinsically disordered region. Journal of Molecular Biology 434 (1), 167387 (2022)

Brosz, M.; Michelarakis, N.; Bunz, U. H. F.; Aponte-Santamaria, C.; Gräter, F.: Martini 3 coarse-grained force field for poly(para-phenylene ethynylene)s. Physical Chemistry Chemical Physics 24 (17), pp. 9998 - 10010 (2022)

Treyde, A. W.; Riedmiller, K.; Gräter, F.: Bond dissociation energies of X–H bonds in proteins. RSC Advances 12 (53), pp. 34557 - 34564 (2022)

Banterle, N.; Nievergelt, A. P.; de Buhr, S.; Hatzopoulos, G. N.; Brillard, C.; Andany, S.; Hubscher, T.; Sorgenfrei, F. A.; Schwarz, U. S.; Gräter, F. et al.; Fantner, G. E.; Gonczy, P.: Kinetic and structural roles for the surface in guiding SAS-6 self-assembly to direct centriole architecture. Nature Communications 12 (1), p. 6180 (2021)

Obarska-Kosinska, A.; Rennekamp, B.; Unal, A.; Gräter, F.: ColBuilder: A server to build collagen fibril models. Biophysical Journal 120 (17), pp. 3544 - 3549 (2021)

Jin, F.; Gräter, F.: How multisite phosphorylation impacts the conformations of intrinsically disordered proteins. PLOS Computational Biology 17 (5), e1008939 (2021)

Maag, D.; Putzu, M.; Gomez-Flores, C. L.; Gräter, F.; Elstner, M.; Kubar, T.: Electrostatic interactions contribute to the control of intramolecular thiol-disulfide isomerization in a protein. Physical Chemistry Chemical Physics 23 (46), pp. 26366 - 26375 (2021)

Michelarakis, N.; Franz, F.; Gkagkas, K.; Gräter, F.: Longitudinal strand ordering leads to shear thinning in Nafion. Physical Chemistry Chemical Physics 23 (45), pp. 25901 - 25910 (2021)

Cruz-Chú, E. R.; Villegas-Rodriguez, G.; Jäger, T.; Valentini, L.; Pugno, N.; Gkagkas, K.; Gräter, F.: Mechanical characterization and induced crystallization in nanocomposites of thermoplastics and carbon nanotubes. npj Computational Materials 6, 151 (2020)

Acebron, I.; Righetto, R. D.; Schoenherr, C.; de Buhr, S.; Redondo, P.; Culley, J.; Rodriguez, C. F.; Daday, C.; Biyani, N.; Llorca, O. et al.; Byron, A.; Chami, M.; Gräter, F.; Boskovic, J.; Frame, M. C.; Stahlberg, H.; Lietha, D.: Structural basis of Focal Adhesion Kinase activation on lipid membranes. The EMBO Journal 39 (19), e104743 (2020)

Zapp, C.; Obarska-Kosinska, A.; Rennekamp, B.; Kurth, M.; Hudson, D. M.; Mercadante, D.; Barayeu, U.; Dick, T. P.; Denysenkov, V.; Prisner, T. et al.; Bennati, M.; Daday, C.; Kappl, R.; Gräter, F.: Mechanoradicals in tensed tendon collagen as a source of oxidative stress. Nature Communications 11 (1), 2315 (2020)

Franz, F.; Daday, C.; Gräter, F.: Advances in molecular simulations of protein mechanical properties and function. Current Opinion in Structural Biology 61, pp. 132 - 138 (2020)

Zha, J.; Zhang, Y.; Xia, K.; Gräter, F.; Xia, F.: Coarse-Grained Simulation of Mechanical Properties of Single Microtubules With Micrometer Length. Frontiers in Molecular Biosciences 7, 632122 (2020)

Rennekamp, B.; Kutzki, F.; Obarska-Kosinska, A.; Zapp, C.; Gräter, F.: Hybrid Kinetic Monte Carlo/Molecular Dynamics Simulations of Bond Scissions in Proteins. Journal of Chemical Theory and Computation 16 (1), pp. 553 - 563 (2020)

Suman, S. K.; Daday, C.; Ferraro, T.; Vuong-Brender, T.; Tak, S.; Quintin, S.; Robin, F.; Gräter, F.; Labouesse, M.: The plakin domain of C. elegans VAB-10/plectin acts as a hub in a mechanotransduction pathway to promote morphogenesis. Development 146 (24), dev183780 (2019)

Caetano-Anolles, G.; Aziz, M. F.; Mughal, F.; Gräter, F.; Koc, I.; Caetano-Anolles, K.; Caetano-Anolles, D.: Emergence of Hierarchical Modularity in Evolving Networks Uncovered by Phylogenomic Analysis. Evolutionary Bioinformatics 15 (2019)

Herrera-Rodríguez, A. M.; Miletić, V.; Aponte-Santamaría, C.; Gräter, F.: Molecular Dynamics Simulations of Molecules in Uniform Flow. Biophysical Journal 116 (9), pp. 1579 - 1585 (2019)

Zhang, Y.; Xia, K.; Cao, Z.; Gräter, F.; Xia, F.: A new method for the construction of coarse-grained models of large biomolecules from low-resolution cryo-electron microscopy data. Physical Chemistry Chemical Physics 21 (19), pp. 9720 - 9727 (2019)