Hajar Sirous

7PUBLICATIONS
13CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational neuroscience (incl. mathematical neuroscience and theoretical neuroscience)Proteins and peptidesBiomolecular modelling and designEcosystem services (incl. pollination)
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Publications (7)

|Jun 29, 2026
Integrated structure-based and fragment-guided design of isonicotinic acid derivatives as potential KDM4A inhibitors: an in silico study.

|Dec 09, 2025
In Silico Exploration of Potential Inhibitors Targeting SARS-CoV-2 Non-Structural Protein 15 (Nsp15): A Comprehensive Overview of Current Research.

Behnaz Yazdani, Hajar Sirous, Farnoosh Farzam

|Dec 23, 2023
Structure-Based High-Throughput Virtual Screening and Molecular Dynamics Simulation for the Discovery of Novel SARS-CoV-2 NSP3 Mac1 Domain Inhibitors.

Behnaz Yazdani, Hajar Sirous, Simone Brogi

|Apr 28, 2023
Disruption of Irisin Dimerization by FDA-Approved Drugs: A Computational Repurposing Approach for the Potential Treatment of Lipodystrophy Syndromes.

Lorenzo Flori, Simone Brogi, Hajar Sirous

|Apr 25, 2023
Pyrimido[4,5-b]indole derivatives bearing 1,2,4-oxadiazole moiety as MDM2 inhibitor candidates in cancer treatment.

Ali Mehri, Mahboubeh Mardanshahi, Hajar Sirous

|Aug 29, 2020
Amyloid β fibril disruption by oleuropein aglycone: long-time molecular dynamics simulation to gain insight into the mechanism of action of this polyphenol from extra virgin olive oil.

Simone Brogi, Hajar Sirous, Vincenzo Calderone

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Frequent Collaborators

6 joint publications

Simone Brogi

1 joint publications

Hossein Khanahmad

1 joint publications

Mahboubeh Rostami

1 joint publications

Lorenzo Flori