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

SPEADI: Accelerated Analysis of IDP-Ion Interactions from MD-Trajectories

de Bruyn, Emile
2023

Biology, 12 (2023) 4, S. 581 -

“...Rossetti, Giulia...”
OpenAccess

3

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

4

Preprint

Impact of Phosphorylation on alpha-Synuclein Structural Determinants

Dorn, Anton
2023

bioRxiv beta (2023)

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

5

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

6

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

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

EphrinA5 regulates cell motility by modulating Snhg15/DNA triplex-dependent targeting of DNMT1 to the Ncam1 promoter

Yildiz, Can Bora
2023

Epigenetics & chromatin, 16 (2023) 1, S. 42

“...Rossetti, Giulia...”
OpenAccess

9

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

10

Journal Article

Sodium channels and local anesthetics – old friends with new perspectives

Körner, Jannis
2022

Frontiers in pharmacology, 13 (2022) S. 837088

“...Rossetti, Giulia...”
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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

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

13

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

14

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

15

Journal Article

Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death

Margreiter, Michael A
2022

Computational and structural biotechnology journal, 20 (2022) S. 443 - 458

“...Rossetti, Giulia...”
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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

Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

Manelfi, Candida
2021

Molecules, 26 (2021) 4, S. 797 -

“...Rossetti, Giulia...”
OpenAccess

18

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...”
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19

Journal Article

Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction

D'Arrigo, Giulia
2021

Molecules, 26 (2021) 6, S. 1613 -

“...Rossetti, Giulia...”
OpenAccess

20

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...”
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