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2017

Computational Biomedicine; INM-9

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2017

Computational Biomedicine; INM-9

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Journal Article 9 Contribution to a book 2

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1

Journal Article

The conserved macrodomains of the non-structural proteins of Chikungunya virus and other pathogenic positive strand RNA viruses function as mono-ADP-ribosylhydrolases

Eckei, Laura
2017

Scientific reports, 7 (2017) S. 41746 -

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

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2

Journal Article

Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics

Villar-Piqué, Anna
2017

Communicative & integrative biology, 10 (2017) 1, S. e1270484 -

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

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3

Journal Article

Sulfoximines as ATR inhibitors: Analogs of VE-821

Hendriks, Christine M. M.
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 12, S. 2659 - 2662

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

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4

Contribution to a book

Chapter 12. Molecular Modelling and Simulations Applied to Challenging Drug Discovery Targets

Martín-Santamaría, Sonsoles
2017

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

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5

Journal Article

Structural prediction of the interaction of the tumor suppressor p27$^{KIP1}$ with cyclin A/CDK2 identifies a novel catalytically relevant determinant

Li, Jinyu
2017

BMC bioinformatics, 18 (2017) 1, S. 15

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

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6

Journal Article

A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action

Campaner, Elena
2017

Nature Communications, 8 (2017) S. 15772 -

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

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7

Journal Article

Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release

Pesce, Luca
2017

The @journal of physical chemistry / B, 121 (2017) 47, S. 10648–10656

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

Restricted Published on 2017-10-31. Available in OpenAccess from 2018-10-31. Restricted

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8

Journal Article

Unifying view of mechanical and functional hotspots across class A GPCRs

Ponzoni, Luca
2017

PLoS Computational Biology, 13 (2017) 2, S. e1005381 -

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

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9

Journal Article

Proton Dynamics in Protein Mass Spectrometry

Li, Jinyu
2017

The @journal of physical chemistry letters, 8 (2017) 6, S. 1105 - 1112

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

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10

Contribution to a book

Structural Modeling of Human Prion Protein's Point Mutations

Rossetti, Giulia
2017

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

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Journal Article

Intramolecular hydrophobic interactions are critical mediators of STAT5 dimerization

Fahrenkamp, Dirk
2016

Scientific reports, 6 (2016) S. 35454 -

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

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Publications database 11 Open Access 7

Journal Article 9 Contribution to a book 2

Rossetti, Giulia 11 Carloni, Paolo 7 Lüscher, Bernhard 4 Li, Jinyu 3 Baloglu, Erkan 1 Bauer, Andreas 1 more ... Bello, Ezia 1 Benvenuti, Federica 1 Bolm, Carsten 1 Bütepage, Mareike 1 Calandrini, Vania 1 Campaner, Elena 1 Cappuzzello, Elisa 1 Chatain, Nicolas 1 Ciani, Yari 1 Cristiani, Alberto 1 Cucchi, Ulisse 1 De Vivo, Marco 1 Del Sal, Giannino 1 D’Incalci, Maurizio 1 Eckei, Laura 1 Ernst, Sabrina 1 Fahrenkamp, Dirk 1 Fernández, Claudio O. 1 Giabbai, Barbara 1 Giorgetti, Alejandro 1 Golan, Gali 1 Grandori, Rita 1 Grimm, Alexander R. 1 Gross, Annika 1 see all ... less ...

Computational Science and Mathematical Methods 11 (Dys-)function and Plasticity 4 Theory, modelling and simulation 4 Predicting the apo-structure of a NEET protein involved in health and disease 1 Towards the design of allosteric ligands binding to the human muscarinic receptor M2 1

Computational Biomedicine; IAS-5 11 Computational Biomedicine; INM-9 Jülich Supercomputing Center; JSC 11 JARA - HPC; JARA-HPC 2 Jara-Institut Quantum Information; INM-11 1 Molekulare Organisation des Gehirns; INM-2 1

2017

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