Talks and presentations

Introduction to KNIME for Cheminformatics: Molecular Fingerprints, Machine Learning, and Pipeline Creation

September 14, 2023

Talk, NyBerMan Bioinformatics, Online Workshop

I delivered a talk introducing KNIME as a powerful tool for data analysis, explained molecular fingerprints and descriptors along with their associated file formats, and demonstrated fundamental machine learning concepts. Additionally, I guided participants through the process of building machine learning models and creating automated pipelines using KNIME.

Identification of New Small Molecules Antiviral Agents as Protein-Protein Inhibitors of the ACE2 : Coronavirus Spike Interactions to Prevent the Entry of SARS-CoV-2 to the host Cell

September 30, 2021

Talk, GGMM and SFCi Congress, Lille University, France, Lille, France

More information here

Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamic and ADMET evaluation

July 03, 2020

Conference proceedings talk, E-conference on Data Science and Epidemiology for Global Health Research against COVID-19, Meknes, Morocco

Using computational screening and molecular dynamics, we identified three promising compounds targeting SARS-CoV-2’s main protease and polymerase as potential dual inhibitors to combat COVID-19.

Adnane Aouidate

Talks and presentations

Introduction to KNIME for Cheminformatics: Molecular Fingerprints, Machine Learning, and Pipeline Creation

Identification of New Small Molecules Antiviral Agents as Protein-Protein Inhibitors of the ACE2 : Coronavirus Spike Interactions to Prevent the Entry of SARS-CoV-2 to the host Cell

Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamic and ADMET evaluation