1. College
of Chemistry, Fuzhou University, 350002 Fuzhou, China
2. Computational
Biomedicine, Institute for Advanced Simulation IAS-5 and Institute
of Neuroscience and Medicine INM-9, Forschungszentrum Jülich, 52425 Jülich, Germany
3. Faculty
of Mathematics, Computer Science and Natural Sciences, RWTH-Aachen University, 52056 Aachen, Germany
4. Computation-Based
Science and Technology Research Center, Cyprus Institute, 2121 Aglantzia, Nicosia, Cyprus
5. Department
of Hematology, Oncology, Hemostaseology, and Stem Cell Transplantation,
Faculty of Medicine, RWTH Aachen University, 52062 Aachen, Germany
6. Jülich
Supercomputing Centre (JSC), Forschungszentrum Jülich, D-52425 Jülich, Germany
7. Biomolecular & Analytical Mass Spectrometry group, Department of Chemistry, University of Antwerp, 2000 Antwerpen, Belgium
8. Department
of Biotechnology and Biosciences, University of Milano-Bicocca, Piazza
della Scienza 2, 20126 Milan, Italy
9. Joint
BSC-IRB Program on Computational Biology, Institute for Research in
Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri Reixac 10, Barcelona 08028, Spain
10. Departament
de Bioquímica i Biomedicina, Facultat de Biologia, Universitat de Barcelona, Avgda Diagonal 647, Barcelona 08028, Spain
11. Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds LS2 9JT, United Kingdom
12. School of Molecular and Cellular Biology, University of Leeds, Leeds LS2 9JT, United Kingdom
13. JARA−HPC, 52425 Jülich, Germany