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Computational Biomedicine; INM-9

Carloni, Paolo

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Computational Biomedicine; INM-9

Carloni, Paolo

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Journal Article 34 Contribution to a book 2 Conference Presentation 1

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Journal Article

Environmental and genetic factors support the dissociation between α-synuclein aggregation and toxicity

Villar-Piqué, Anna
2016

Proceedings of the National Academy of Sciences of the United States of America, 113 (2016) 42, S. E6506 - E6515

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

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Journal Article

Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations

Rossetti, Giulia
2016

Physical chemistry, chemical physics, 18 (2016) 8, S. 5702 - 5706

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

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Journal Article

Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale Simulations

Pavlin, Matic
2016

Biochemistry, 55 (2016) 19, S. 2772 - 2784

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

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Journal Article

Molecular View of Ligands Specificity for CAG Repeats in Anti-Huntington Therapy

Bochicchio, Anna
2015

Journal of chemical theory and computation, 11 (2015) 10, S. 4911 - 4922

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

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Journal Article

Computational metallomics of the anticancer drug cisplatin

Calandrini, Vania
2015

Journal of inorganic biochemistry, 153 (2015) S. 231 - 238

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

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Journal Article

Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine

Chatain, N.
2015

Leukemia, 29 (2015) 12, S. 2434 - 2438

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

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Journal Article

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

Li, Jinyu
2015

PLoS one, 10 (2015) 9, S. e0139095 -

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

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Journal Article

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation

Finnerty, Justin John
2015

PLoS one, 10 (2015) 10, S. e0138679 -

“...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

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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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

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

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

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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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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Publications database 37 Open Access 19

Journal Article 34 Contribution to a book 2 Conference Presentation 1

Carloni, Paolo Rossetti, Giulia 35 Giorgetti, Alejandro 6 Li, Jinyu 5 Bauer, Andreas 4 Arnesano, Fabio 3 more ... Calandrini, Vania 3 Cao, Ruyin 3 Grandori, Rita 3 Maggi, Luca 3 Natile, Giovanni 3 Bochicchio, Anna 2 Del Sal, Giannino 2 Fernández, Claudio O. 2 Giacca, Mauro 2 Ippoliti, Emiliano 2 Kless, Achim 2 Konijnenberg, Albert 2 Lüscher, Bernhard 2 Micheletti, Cristian 2 Musiani, Francesco 2 Neumaier, Bernd 2 Outeiro, Tiago Fleming 2 Peyser, Alexander 2 Sobott, Frank 2 Tabarrini, Oriana 2 Ventura, Salvador 2 Villar-Piqué, Anna 2 Abad Gonzalez, Enrique 1 Abad, E. 1 see all ... less ...

Computational Science and Mathematical Methods 37 Theory, modelling and simulation 14 (Dys-)function and Plasticity 9 Connectivity and Activity 6 Supercomputing and Modelling for the Human Brain 2 Towards the design of allosteric ligands binding to the human muscarinic receptor M2 2 more ... 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 Neuroimaging 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 37 Computational Biomedicine; INM-9 Jülich Supercomputing Center; JSC 37 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 see all ... less ...

2015 9 2017 7 2014 5 2016 4 2018 4 2019 4 more ... 2020 4 see all ... less ...

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