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Functional Macromolecules and Complexes

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TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks

Mulnaes, Daniel
2020

Journal of chemical theory and computation, 16 (2020) 3, S. 1953-1967

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Published on 2020-01-22. Available in OpenAccess from 2021-01-22. Restricted Restricted Restricted Restricted

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Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization

Bleffert, Florian
2019

Acta crystallographica / F Structural biology communications Section F, F75 (2019) 4, S. 270 - 277

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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TopScore: Using Deep Neural Networks and Large Diverse Data Sets for Accurate Protein Model Quality Assessment

Mulnaes, Daniel
2018

Journal of chemical theory and computation, 14 (2018) 11, S. 6117–6126

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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On the contributing role of the transmembrane domain for subunit-specific sensitivity of integrin activation

Pagani, Giulia
2018

Scientific reports, 8 (2018) 1, S. 5733

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Tertiary Interactions in the Unbound Guanine-Sensing Riboswitch Focus Functional Conformational Variability on the Binding Site

Hanke, Christian
2017

Journal of chemical information and modeling, 57 (2017) 11, S. 2822–2832

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Polymer conformations in ionic microgels in the presence of salt: Theoretical and mesoscale simulation results

Kobayashi, Hideki
2017

Polymers, 9 (2017) 1, S. 15

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Rigidity theory for biomolecules: concepts, software, and applications

Hermans, Susanne M. A.
2017

Wiley interdisciplinary reviews / Computational Molecular Science, 7 (2017) 4, S. e1311

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics

Alekseeva, Uliana
2016

Journal of computational physics, 314 (2016) S. 14 - 34

“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”

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Publications database 8 Open Access 4

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Gohlke, Holger 6 Mulnaes, Daniel 2 Sutmann, Godehard 2 Winkler, Roland G. 2 Alekseeva, Uliana 1 Apanasenko, Irina 1 more ... Batra-Safferling, Renu 1 Bleffert, Florian 1 Clemens, Rebecca 1 Granzin, Joachim 1 Gremer, Lothar 1 Halver, Rene 1 Hanke, Christian 1 Hanke, Christian A. 1 Hermans, Susanne M. A. 1 Jaeger, Karl-Erich 1 Kobayashi, Hideki 1 Kovacic, Filip 1 Neudecker, Philipp 1 Nutschel, Christina 1 Pagani, Giulia 1 Pfleger, Christopher 1 Porta, Nicola 1 Reiners, Jens 1 Smits, Sander H. J. 1 see all ... less ...

Functional Macromolecules and Complexes Computational Science and Mathematical Methods 7 Forschergruppe Gohlke 3 Biotechnology 1 Impact of conformational heterogeneity of riboswitches on gene regulation 1 Physical Basis of Diseases 1 more ... Structure, energetics, and dynamics of integrin inside-out signaling 1 see all ... less ...

Jülich Supercomputing Center; JSC 8 Strukturbiochemie; ICS-6 6 John von Neumann - Institut für Computing; NIC 5 Theorie der Weichen Materie und Biophysik; IAS-2 2 Institut für Molekulare Enzymtechnologie (HHUD); IMET 1 Theorie der Weichen Materie und Biophysik; ICS-2 1

2017 3 2018 2 2016 1 2019 1 2020 1

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