Racheli Efrati

Predicting the Perfect Match: Using AI to Understand How Molecules Bind to Proteins
Rachel Efrati

Abstract

This study aims to predict ligand binding to protein binding sites using machine learning techniques. By analyzing the structural and geometric features of binding sites from the Protein Data Bank (PDB), we aim to identify patterns that correlate with ligand binding specificity. We employ various machine learning algorithms, including neural networks, to classify ligands based on their potential to bind to specific binding sites. Our findings have the potential to expedite drug discovery and enhance our understanding of protein-ligand interactions.

Bio

Racheli Efrati is a master’s student in financial mathematics specializing in machine learning. With a background in data science and AI and proficiency in Python, she applies her skills to diverse projects in fields like finance, healthcare, and technology.

Agenda

8:45 Reception
9:30 Opening remarks by WiDS TLV ambassadors
9:45 Dr. Mor Geva , Tel Aviv University: “MRI for Large Language Models: Mechanistic Interpretability from Neurons to Attention Heads”
10:15 Panel: “Pioneering Progress: a strategic look at the GenAI revolution and the new role of data scientists“
Shani Gershtein, Melingo
Mirit Elyada Bar, Intuit
Dr. Asi Messica, Lightricks
Moderated by Nitzan Gado, Intuit
10:45 Poster pitches
10:55 Break
11:10 Lightning talks session
12:30 Lunch & poster session
13:30 Roundtable session & poster session
14:30 Roundtable closing
14:40 Shunit Agmon, Technion: “Bridging the Gender Gap in Clinical AI: Temporal Adaptation with TeDi-BERT”
15:00 Shaked Naor Hoffmann, Apartment List: “Building Generative AI Agents for Production: Turning Ideas into Real-World Applications”
15:20 Closing remarks
15:30 The end