JuLib | Articles & more - {"Rossetti, Giulia"}

1

Journal Article

Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease

Albani, Simone
2024

Journal of chemical information and modeling, 64 (2024) 3, S. 892–904

“...Rossetti, Giulia...”
OpenAccess

2

Journal Article

Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail

Paulikat, Mirko
2023

Journal of chemical information and modeling, 63 (2023) 22, S. 7124 - 7132

“...Rossetti, Giulia...”
OpenAccess

3

Journal Article

Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design

Zuo, Ke
2023

Physical chemistry, chemical physics, 25 (2023) 20, S. 13819 - 13824

“...Rossetti, Giulia...”
OpenAccess

4

Journal Article

Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET

Zuo, Ke
2023

Journal of chemical information and modeling, 63 (2023) 2, S. 643 - 654

“...Rossetti, Giulia...”
Get full text Published on 2023-01-09. Available in OpenAccess from 2024-01-09. Restricted

5

Preprint

Impact of Phosphorylation on alpha-Synuclein Structural Determinants

Dorn, Anton
2023

bioRxiv beta (2023)

“...Rossetti, Giulia...”
Get full text OpenAccess

6

Journal Article

AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology

Goßen, Jonas
2023

Chemical science, 14 (2023) 32, S. 8651-8661

“...Rossetti, Giulia...”
OpenAccess

7

Journal Article

Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

Joseph, Benjamin Philipp
2023

International journal of molecular sciences, 24 (2023) 17, S. 13127 -

“...Rossetti, Giulia...”
OpenAccess

8

Journal Article

Molecular Dynamics-Assisted Interpretation of Experimentally Determined Intrinsically Disordered Protein Conformational Components: The Case of Human α-Synuclein

Palomino-Hernandez, Oscar
2022

The journal of physical chemistry / B, 126 (2022) 20, S. 3632 - 3639

“...Rossetti, Giulia...”
Published on 2022-05-11. Available in OpenAccess from 2023-05-11. Restricted

9

Journal Article

Aromaticity at position 39 in α‐synuclein: A modulator of amyloid fibril assembly and membrane‐bound conformations

Buratti, Fiamma A.
2022

Protein science, 31 (2022) 7, S. e4360

“...Rossetti, Giulia...”
OpenAccess

10

Journal Article

An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters

Marjault, Henri-Baptiste
2022

Communications biology, 5 (2022) 1, S. 437

“...Rossetti, Giulia...”
OpenAccess

11

Journal Article

Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution

Hoang Gia, Linh
2022

Frontiers in cell and developmental biology, 10 (2022) S. 886568

“...Rossetti, Giulia...”
OpenAccess

12

Journal Article

The two redox states of the human NEET proteins’ [2Fe–2S] clusters

Zuo, Ke
2021

Journal of biological inorganic chemistry, 26 (2021) S. 763–774

“...Rossetti, Giulia...”
OpenAccess

13

Journal Article

An Enhanced Sampling Approach to the Induced Fit Docking Problem in Protein-Ligand Binding: the case of mono-ADPribosylationhydrolases inhibitors

Rossetti, Giulia
2021

Journal of chemical theory and computation, 17 (2021) 12, S. 7899–7911

“...Rossetti, Giulia...”
Get full text OpenAccess

14

Journal Article

A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics

Gossen, Jonas
2021

ACS pharmacology & translational science, 4 (2021) 3, S. 1079–1095

“...Rossetti, Giulia...”
Get full text OpenAccess

15

Journal Article

The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

Lai, Hien T. T.
2021

Molecules, 26 (2021) 5, S. 1250 -

“...Rossetti, Giulia...”
Get full text OpenAccess

16

Journal Article

Expanding the boundaries of ligand–target modeling by exascale calculations

Bolnykh, Viacheslav
2021

Wiley interdisciplinary reviews / Computational Molecular Science, 11 (2021) 4, S. e1535

“...Rossetti, Giulia...”
OpenAccess

17

Journal Article

Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding

Berdnikova, Daria V.
2021

Molecules, 26 (2021) 11, S. 3384 -

“...Rossetti, Giulia...”
OpenAccess

18

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 -

“...Rossetti, Giulia...”
Get full text Get full text OpenAccess OpenAccess

19

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

“...Rossetti, Giulia...”
Published on 2020-04-08. Available in OpenAccess from 2022-04-08.

20

Preprint

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

Maggi, Luca
2020

Scientific reports (2020)

“...Rossetti, Giulia...”

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