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Computational Biomedicine; INM-9

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Journal Article 43 Contribution to a book 3 Conference Presentation 1 Contribution to a conference proceedings 1 Preprint 1

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Journal Article

Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions

Cao, Ruyin
2015

PLoS one, 10 (2015) 5, S. e0126833

“...Computational Science and Mathematical Methods...”

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Conference Presentation

Statistical mechanical models for cation selectivity in biological channels

Finnerty, Justin
2015

“...Computational Science and Mathematical Methods...”

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Journal Article

Molecular Basis for Structural Heterogeneity of an Intrinsically Disordered Protein Bound to a Partner by Combined ESI-IM-MS and Modeling

D’Urzo, Annalisa
2015

Journal of the American Society for Mass Spectrometry, 26 (2015) 3, S. 472 - 481

“...Computational Science and Mathematical Methods...”

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Journal Article

Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins

Rossetti, Giulia
2015

Archives of biochemistry and biophysics, 582 (2015) S. 91–100

“...Computational Science and Mathematical Methods...”

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Journal Article

HIV-1 Integrase Binding to its Cellular Partners: A Perspective from Computational Biology

Quy, Vo
2014

Current pharmaceutical design, 20 (2014) 21, S. 3412 - 3421

“...Computational Science and Mathematical Methods...”

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Contribution to a book

Chemosensorial G-proteins-Coupled Receptors: A Perspective from Computational Methods

Musiani, Francesco
2014

2014

“...Computational Science and Mathematical Methods...”

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Journal Article

Molecular Recognition of Platinated DNA from Chromosomal HMGB1

Nguyen, Trung Hai
2014

Journal of chemical theory and computation, 10 (2014) 8, S. 3578 - 3584

“...Computational Science and Mathematical Methods...”

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Journal Article

Molecular Dynamics Simulations Identify Time Scale of Conformational Changes Responsible for Conformational Selection in Molecular Recognition of HIV-1 Transactivation Responsive R...

Musiani, Francesco
2014

Journal of the American Chemical Society, 136 (2014) 44, S. 15631 - 15637

“...Computational Science and Mathematical Methods...”

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Journal Article

Developing predictive rules for coordination geometry from visible circular dichroism of Copper(II) and Nickel(II) ions in histidine and amide main-chain complexes

Stanyon, Helen F.
2014

The @FEBS journal, 281 (2014) 17, S. 3945 - 3954

“...Computational Science and Mathematical Methods...”

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Publications database 49 Open Access 28

Journal Article 43 Contribution to a book 3 Conference Presentation 1 Contribution to a conference proceedings 1 Preprint 1

Rossetti, Giulia 47 Carloni, Paolo 37 Giorgetti, Alejandro 7 Li, Jinyu 6 Lüscher, Bernhard 5 Bauer, Andreas 4 more ... Arnesano, Fabio 3 Calandrini, Vania 3 Cao, Ruyin 3 Chatain, Nicolas 3 Grandori, Rita 3 Koschmieder, Steffen 3 Maggi, Luca 3 Natile, Giovanni 3 Abad, E. 2 Bochicchio, Anna 2 Bolm, Carsten 2 De Vivo, Marco 2 Del Sal, Giannino 2 Fernández, Claudio O. 2 Giacca, Mauro 2 Guareschi, Riccardo 2 Ippoliti, Emiliano 2 Kless, Achim 2 Konijnenberg, Albert 2 Marchetto, Alessandro 2 Micheletti, Cristian 2 Musiani, Francesco 2 Neumaier, Bernd 2 Outeiro, Tiago Fleming 2 see all ... less ...

Computational Science and Mathematical Methods 49 Theory, modelling and simulation 19 (Dys-)function and Plasticity 14 Connectivity and Activity 6 Neuroimaging 3 Supercomputing and Modelling for the Human Brain 2 more ... Towards the design of allosteric ligands binding to the human muscarinic receptor M2 2 Condensed Matter and Molecular Building Blocks 1 Doktorand ohne besondere Förderung 1 Exploring the conformational properties of alpha-synuclein variants: an enhanced sampling study 1 Predicting the apo-structure of a NEET protein involved in health and disease 1 SimLab Neuroscience 1 see all ... less ...

Computational Biomedicine; IAS-5 49 Computational Biomedicine; INM-9 Jülich Supercomputing Center; JSC 49 JARA - HPC; JARA-HPC 7 GRS; GRS 6 Molekulare Organisation des Gehirns; INM-2 4 more ... Jara-Institut Quantum Information; INM-11 3 Nuklearchemie; INM-5 2 German Research School for Simulation Sciences; GRS; GRS Aachen 1 John von Neumann - Institut für Computing; NIC 1 see all ... less ...

2017 11 2015 10 2020 8 2014 5 2016 5 2018 5 more ... 2019 5 see all ... less ...

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