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Hire Dr. Yassir B.

Spain

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Postdoctoral Researcher | Molecular Modelling | Cheminformatics

Profile Summary

I am a computational drug discovery specialist and postdoctoral researcher with expertise in molecular modeling, cheminformatics, and AI‑driven analysis. My work focuses on designing interpretable, mechanism‑aligned computational workflows that accelerate early‑stage drug discovery and help research teams make confident, data‑driven decisions.

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Data Analysis
• ☆ Machine Learning
• ☆ Drug Discovery

Services

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing, General Proofreading & Editing

Research Technology Scouting, Scientific and Technical Research

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Algorithm Design-ML, Data Visualization, Big Data Analytics, Data Cleaning

Work Experience

Postdoctoral Researcher

Universitat Autònoma de Barcelona

September 2025 - Present

Education

Doctor of Philosophy (Laboratory of Innovative Technologies)

Abdelmalek Essaâdi University

2020 - July 2024

Visiting PhD student (Andalusian Center for Developmental Biology)

Universidad Pablo de Olavide

May 2023 - July 2023

Visiting Ph.D. Student (Department of Environmental Engineering)

University of Patras

May 2022 - October 2022

Certifications

• Advanced Machine Learning for Drug Discovery

  Neovarsity

  https://neovarsity.org/certificates/verify/9XYP987W5GUA

  January 2024 - Present

Publications

JOURNAL ARTICLE

Yassir Boulaamane, Santiago Bolivar Avila, Jr., Juan Rosales Hurtado, Iman Touati, Badr-Edine Sadoq, Aamal A. Al-Mutairi, Ali Irfan, Sami A. Al-Hussain, Amal Maurady, Magdi E.A. Zaki (2025). Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations . Computers in Biology and Medicine.

Yassir Boulaamane, Badr-Edine Sadoq, Somdutt Mujwar, Mohamed Sadoq, Mohammed Reda Britel, Adel Bouajaj, Ahmed Touhami, Fakhita Touhami, Amal Maurady (2025). Metal and Metal Oxide Nanoparticles: Computational Analysis of Their Interactions and Antibacterial Activities Against Pseudomonas aeruginosa . BioNanoScience.

Yassir Boulaamane, Iman Touati, Imteyaz Qamar, Iqrar Ahmad, Harun Patel, Anshuman Chandra, Mohammed Reda Britel, Amal Maurady (2024). In silico Discovery of Dual Ligands Targeting MAO-B and AA2AR from African Natural Products Using Pharmacophore Modelling, Molecular Docking, and Molecular Dynamics Simulations . Chemistry Africa.

Yassir Boulaamane, Iman Touati, Mohnad Abdalla, Nawal Al-Hoshani, Abdulaziz Alouffi, Mohammed Reda Britel, Amal Maurady(2023). Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors . Journal of Biomolecular Structure and Dynamics. p. 1--16. Informa {UK} Limited

Yassir Boulaamane, Iman Touati, Nainee Goyal, Anshuman Chandra, Lokesh Kori, Mahmoud A. A. Ibrahim, Mohammed Reda Britel, Amal Maurady(2023). Exploring natural products as multi-target-directed drugs for Parkinson’s disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulations . Journal of Biomolecular Structure and Dynamics. p. 1--18. Informa {UK} Limited

Yassir Boulaamane, Iman Touati, Nainee Goyal, Anshuman Chandra, Lokesh Kori, Mahmoud A. A. Ibrahim, Mohammed Reda Britel, Amal Maurady(2023). Exploring natural products as multi-target-directed drugs for Parkinson’s disease: an <i>in-silico</i> approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulations . Journal of Biomolecular Structure and Dynamics. p. 1--18. Informa {UK} Limited

Yassir Boulaamane, Kailash Jangid, Mohammed Reda Britel, Amal Maurady(2023). Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations . Molecular Diversity. Springer Science and Business Media {LLC}

Yassir Boulaamane, Pallavi Kandpal, Anshuman Chandra, Mohammed Reda Britel, Amal Maurady(2023). Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE . Journal of Biomolecular Structure and Dynamics. p. 1--18. Informa {UK} Limited

Yassir Boulaamane, Iqrar Ahmad, Harun Patel, Niloy Das, Mohammed Reda Britel, Amal Maurady (2023). Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors . Journal of Biomolecular Structure and Dynamics.

Yassir Boulaamane, Mahmoud A. A. Ibrahim, Mohammed Reda Britel, Amal Maurady (2022). In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease . Journal of Integrative Bioinformatics.

Yassir Boulaamane, Suneeta Bhandari, Akansha Agrwal, Virendra Kasana, Shishir Tandon, Amal Maurady(2022). β‐amino carbonyl derivatives: Synthesis, Molecular Docking, ADMET, Molecular Dynamic and Herbicidal studies . ChemistrySelect. 7. (48). Wiley

Boulaamane, Y., Ahmad, I., Patel, H., Das, N., Britel, M.R., Maurady, A.(2022). Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors . Journal of Biomolecular Structure and Dynamics.

BOOK CHAPTER

Boulaamane, Y., Britel, M. R., & Maurady, A. (2023). Insights into the Structure-Activity Relationship of Alkynyl-Coumarinyl Ethers as Selective MAO-B Inhibitors Using Molecular Docking. In The Chemistry of Coumarin. essay. Retrieved from https://novapublishers.com/shop/the-chemistry-of-coumarin/ .