Alexander Schug
Alexander Schug
NIC Group Leader
Verified email at fz-juelich.de
TitleCited byYear
An all‐atom structure‐based potential for proteins: bridging minimal models with all‐atom empirical forcefields
PC Whitford, JK Noel, S Gosavi, A Schug, KY Sanbonmatsu, JN Onuchic
Proteins: Structure, Function, and Bioinformatics 75 (2), 430-441, 2009
2882009
Structural basis of histidine kinase autophosphorylation deduced by integrating genomics, molecular dynamics, and mutagenesis
AE Dago, A Schug, A Procaccini, JA Hoch, M Weigt, H Szurmant
Proceedings of the National Academy of Sciences 109 (26), E1733-E1742, 2012
1562012
High-resolution protein complexes from integrating genomic information with molecular simulation
A Schug, M Weigt, JN Onuchic, T Hwa, H Szurmant
Proceedings of the National Academy of Sciences 106 (52), 22124-22129, 2009
1552009
Coevolutionary landscape inference and the context-dependence of mutations in beta-lactamase TEM-1
M Figliuzzi, H Jacquier, A Schug, O Tenaillon, M Weigt
Molecular biology and evolution 33 (1), 268-280, 2015
1242015
Filopodia-based Wnt transport during vertebrate tissue patterning
E Stanganello, AIH Hagemann, B Mattes, C Sinner, D Meyen, S Weber, ...
Nature Communication 6, doi:10.1038/ncomms6846, 2015
1222015
Reproducible protein folding with the stochastic tunneling method
A Schug, T Herges, W Wenzel
Physical review letters 91 (15), 158102, 2003
1192003
Robustness and generalization of structure‐based models for protein folding and function
H Lammert, A Schug, JN Onuchic
Proteins: Structure, Function, and Bioinformatics 77 (4), 881-891, 2009
1042009
Nonlocal helix formation is key to understanding S-adenosylmethionine-1 riboswitch function
PC Whitford, A Schug, J Saunders, SP Hennelly, JN Onuchic, ...
Biophysical journal 96 (2), L7-L9, 2009
1032009
Basin hopping simulations for all-atom protein folding
A Verma, A Schug, KH Lee, W Wenzel
The Journal of chemical physics 124 (4), 044515, 2006
882006
Direct single-molecule observation of a protein living in two opposed native structures
Y Gambin, A Schug, EA Lemke, JJ Lavinder, ACM Ferreon, TJ Magliery, ...
Proceedings of the National Academy of Sciences 106 (25), 10153-10158, 2009
812009
Energy landscape paving simulations of the trp-cage protein
A Schug, W Wenzel, UHE Hansmann
The Journal of chemical physics 122 (19), 194711, 2005
712005
Mutations as trapdoors to two competing native conformations of the Rop-dimer
A Schug, PC Whitford, Y Levy, JN Onuchic
Proceedings of the National Academy of Sciences 104 (45), 17674-17679, 2007
682007
Direct-Coupling Analysis of nucleotide coevolution facilitates RNA secondary and tertiary structure prediction
E De Leonardis, B Lutz, S Ratz, S Cocco, R Monasson, A Schug, M Weigt
Nucleic acids research 43 (21), 10444-10455, 2015
622015
From protein folding to protein function and biomolecular binding by energy landscape theory
A Schug, JN Onuchic
Current opinion in pharmacology 10 (6), 709-714, 2010
552010
An evolutionary strategy for all-atom folding of the 60-amino-acid bacterial ribosomal protein L20
A Schug, W Wenzel
Biophysical journal 90 (12), 4273-4280, 2006
542006
Large-scale identification of coevolution signals across homo-oligomeric protein interfaces by direct coupling analysis
G Uguzzoni, SJ Lovis, F Oteri, A Schug, H Szurmant, M Weigt
Proceedings of the National Academy of Sciences 114 (13), E2662-E2671, 2017
532017
Modulation of a pre-existing conformational equilibrium tunes adenylate kinase activity
J Ĺdén, A Verma, A Schug, M Wolf-Watz
Journal of the American Chemical Society 134 (40), 16562-16570, 2012
472012
Comparison of Stochastic Optimization Methods for All‐Atom Folding of the Trp‐Cage Protein
A Schug, T Herges, A Verma, KH Lee, W Wenzel
ChemPhysChem 6 (12), 2640-2646, 2005
442005
All‐atom folding of the three‐helix HIV accessory protein with an adaptive parallel tempering method
A Schug, T Herges, W Wenzel
Proteins: Structure, Function, and Bioinformatics 57 (4), 792-798, 2004
422004
Predictive in silico all-atom folding of a four-helix protein with a free-energy model
A Schug, W Wenzel
Journal of the American Chemical Society 126 (51), 16736-16737, 2004
392004
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Articles 1–20