Ten exemplary publications
- M. B. Zerihun, F. Pucci, and A. Schug. CoCoNet: Boosting RNA contact prediction by convolutional neural networks. Nucl. Acids Res. 49(22), 12661 -12672, 2021. https://doi.org/10.1093/nar/gkab1144
- M. Weiel, M. Götz, A. Klein, D. Coquelin, R. Floca, A. Schug. FLAPS: Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions. Nature Mach. Intel. 3, 727–734, 2021. https://doi.org/10.1038/s42256-021-00366-3
- M. Bockwoldt, D. Houry, M. Niere, T.I. Gossmann, I. Reinartz, A. Schug, M. Ziegler, and I. Heiland. Identifying evolutionary and kinetic drivers of NAD-dependent signaling. Proc. Natl. Acad. Sci. U.S.A. 116 (32), 15957-15966, 2019.
- Y. Luo*, M. Ahmad*, A. Schug+, M. Tsotsalas+, Rising up: Hierarchical architectures of MOF in experiment and simulation. Adv. Mat., doi: 0.1002/adma.201901744, 2019, *contributed equally, +joint corresponding authors
- G. Uguzzoni*, S. John Lovis*, F. Oteri, A. Schug+, H. Szurmant+, M. Weigt+,Large-scale identification of coevolution signals across homo-oligomeric protein interfaces by direct coupling analysis,Proc. Natl. Acad. Sci. U.S.A. 114: E2662-E2671, 2017.*Contributed equally; + joint corresponding authors
- E. Stanganello, A.I.H. Hagemann, B. Mattes, C. Sinner, D. Meyen, S. Weber, A. Schug, E. Raz and S. Scholpp. Filopodia based Wnt transport during vertebrate tissue patterning,Nature Communication,6, doi:10.1038/ncomms6846, 2015.
- E. De Leonardis*, B. Lutz*, S. Cocco, R. Monasson, A. Schug+, M. Weigt+. Direct-Coupling Analysis of nucleotide coevolution facilitates RNA tertiary structure prediction, Nucl. Ac. Res., gkv932, 2015. *Contributed equally; + joint corresponding authors.
- A. E. Dago*, A. Schug*, A. Procaccini, J. A. Hoch, M. Weigt, and H. Szurmant. The Structural Basis of Histidine Kinase Autophosphorylation deduced by Integrating Genomics, Molecular Dynamics and Mutagenesis. Proc. Natl. Acad. Sci. U.S.A., 109:1733-1742, 2012 *contributed equally
- A. Schug, M. Weigt, J.N. Onuchic, T. Hwa, and H. Szurmant. High resolution protein complexes from integrating genomic information with molecular simulation. Proc. Nat. Acad. Sci. U.S.A., 106:22124– 22129, 2009.
- A. Schug, P.C. Whitford, Y. Levy, and J.N. Onuchic. Mutations as trapdoors to two competing native conformations of the rop-dimer. Proc. Nat. Acad. Sci. U.S.A., 104:17674–17679, 2007.