Safa Daoud

Amman, AM, Jordan

Last Updated: 09/26/2026

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Found 24 publications

Identification of novel PKR inhibitory chemotypes via integrated molecular modelling and machine learning.

Identification of novel PKR inhibitory chemotypes via integrated molecular modelling and machine learning.

Journal: RSC advances

Published: July 26, 2026

Developments in the design and therapeutic applications of GSK3β inhibitors.

Developments in the design and therapeutic applications of GSK3β inhibitors.

Journal: Future medicinal chemistry

Published: May 22, 2026

Innovative integration of molecular docking and machine learning for drug discovery: from virtual screening to nanomolar inhibitors.

Innovative integration of molecular docking and machine learning for drug discovery: from virtual screening to nanomolar inhibitors.

Journal: Chemical communications (Cambridge, England)

Published: March 17, 2026

Deep learning model for activity cliffs prediction: a comprehensive approach to protein kinase inhibitors.

Deep learning model for activity cliffs prediction: a comprehensive approach to protein kinase inhibitors.

Journal: Journal of computer-aided molecular design

Published: July 17, 2025

Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation.

Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation.

Journal: Journal of molecular graphics & modelling

Published: December 12, 2024

Discovery of New HER2 Inhibitors via Computational Docking, Pharmacophore Modeling, and Machine Learning.

Discovery of New HER2 Inhibitors via Computational Docking, Pharmacophore Modeling, and Machine Learning.

Journal: Molecular informatics

Published: November 05, 2024

Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms.

Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms.

Journal: Expert opinion on drug discovery

Published: October 16, 2024

Discovery of novel chemotype inhibitors targeting Anaplastic Lymphoma Kinase receptor through ligand-based pharmacophore modelling.

Discovery of novel chemotype inhibitors targeting Anaplastic Lymphoma Kinase receptor through ligand-based pharmacophore modelling.

Journal: SAR and QSAR in environmental research

Published: October 09, 2024

Protein characteristics substantially influence the propensity of activity cliffs among kinase inhibitors.

Protein characteristics substantially influence the propensity of activity cliffs among kinase inhibitors.

Journal: Scientific reports

Published: December 09, 2023

Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes.

Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes.

Journal: Molecular diversity

Published: October 02, 2023

Augmenting bioactivity by docking-generated multiple ligand poses to enhance machine learning and pharmacophore modelling: discovery of new TTK inhibitors as case study.

Augmenting bioactivity by docking-generated multiple ligand poses to enhance machine learning and pharmacophore modelling: discovery of new TTK inhibitors as case study.

Journal: Molecular informatics

Published: January 27, 2023

Plants as a Source of Anticancer Agents: From Bench to Bedside.

Plants as a Source of Anticancer Agents: From Bench to Bedside.

Journal: Molecules (Basel, Switzerland)

Published: June 29, 2022

Showing 1-12 of 24

Last Updated: 09/26/2026