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Journal Article

Modeling the allosteric modulation on a G-Protein Coupled Receptor: the case of M2 muscarinic Acetylcholine Receptor in complex with LY211960

Maggi, L.
2020

Scientific reports, 10 (2020) 1, S. 3037

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2

Journal Article

In silico/in vitro screening and hit evaluation identified new phenothiazine anti-prion derivatives

Zaccagnini, Ludovica
2020

European Journal of Medicinal Chemistry European journal of medicinal chemistry, 196 196 (2020 2020) S. 112295 112295

Published on 2020-04-08. Available in OpenAccess from 2022-04-08.

3

Journal Article

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

Si Chaib, Zeineb
2020

Molecules, 25 (2020) 18, S. 4299 -

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4

Journal Article

Role of Tyr-39 for the Structural Features of α-Synuclein and for the Interaction with a Strong Modulator of Its Amyloid Assembly

Palomino, Oscar
2020

International journal of molecular sciences, 21 (2020) 14, S. 5061 -

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5

Journal Article

Structural Determinants of the Prion Protein N-Terminus and Its Adducts with Copper Ions

Sánchez-López, Carolina
2019

International journal of molecular sciences, 20 (2019) 1, S. 18

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6

Journal Article

High-throughput screening discovers antifibrotic properties of haloperidol by hindering myofibroblast activation

Rehman, Michael
2019

JCI insight, 4 (2019) 8, S. e123987

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7

Journal Article

Investigating targets for neuropharmacological intervention by molecular dynamics simulations

Rossetti, Giulia
2019

Biochemical Society transactions, 47 (2019) 3, S. 909 - 918

8

Journal Article

Effect of in vivo post-translational modifications of the HMGB1 protein upon binding to platinated DNA: a molecular simulation study

Lyu, , Wenping
2018

Nucleic acids symposium series, 46 (2018) 22, S. 11687 - 11697

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9

Journal Article

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

Zeng, Juan
2018

International journal of molecular sciences, 19 (2018) 9, S. 2588 -

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10

Journal Article

Reducing Mutant Huntingtin Protein Expression in Living Cells by a Newly Identified RNA CAG Binder

Matthes, Frank
2018

ACS chemical neuroscience, 9 (2018) 6, S. 1399 - 1408

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11

Journal Article

Vibrational Energy in Proteins Correlates with Topology

Maggi, Luca
2018

The journal of physical chemistry letters, 9 (2018) 22, S. 6393 - 6398

Restricted Published on 2018-10-14. Available in OpenAccess from 2019-10-14. Restricted Published on 2018-10-14. Available in OpenAccess from 2019-10-14.

12

Journal Article

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

Cao, Ruyin
2018

Molecules, 23 (2018) 10, S. 2616 -

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13

Journal Article

Proton Dynamics in Protein Mass Spectrometry

Li, Jinyu
2017

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

14

Contribution to a book

Structural Modeling of Human Prion Protein's Point Mutations

Rossetti, Giulia
2017

15

Journal Article

Unifying view of mechanical and functional hotspots across class A GPCRs

Ponzoni, Luca
2017

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

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16

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

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17

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 -

OpenAccess OpenAccess

18

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

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

19

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 -

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20

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

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