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Author Guidelines

Health Informatics Workshop

Gene to Drug: A Hands-on Workshop on Multi-omics Gene Expression Analysis and Drug Discovery

This hands-on workshop on offers a technical deep dive into the "Gene to Drug" pipeline, from analyzing multi-omics NGS data to designing therapeutic molecules. Participants will learn how to identify disease-relevant targets through multi-omics gene expression analysis, leveraging cutting-edge tools such as Seurat for single-cell data integration and Multi-Omics Next generation sequencing (NGS) analysis for a holistic view of multi-layered disease and patient datasets. The second part of the workshop will focus on computer-aided drug design, where attendees will gain practical experience virtual drug screening and protein design. We will cover molecular docking and perform molecular dynamics (MD) simulations with programs like GROMACS to study protein-ligand stability. Attendees will also be introduced to current methods for protein structure prediction using AI-based algorithms such as AlphaFold and RoseTTAFold and learn how to use these models for the rational design of novel protein binders and miniproteins using RFdiffusion. A dedicated session will cover the application of fundamental biostatistics principles and Python using libraries like Biopython and pandas for building robust and reproducible analysis workflows.

Program Mode: Hybrid

TimeSession TitleSpeaker
9:00 AM – 9:10 AMWelcome AddressDr. Ankit Srivastava
9:10 AM – 9:40 AMOverview of WorkshopDr. Nilofer Shaikh
9:40 AM – 10:00 AMTea/Coffee Break
10:00 AM – 11:00 AMIntroduction to Multi-Omics Data and Gene Expression AnalysisDr. Nilofer Shaikh
11:00 AM – 11:30 AMHands-on: RNA-seq and Integration of Multi-Omics DataDr. Nilofer Shaikh
11:30 AM – 12:00 PMTransition Lecture: From Omics to Target DiscoveryDr. Nilofer Shaikh
12:00 PM – 1:00 PMLunch Break
1:00 PM – 2:00 PMComputer-Aided Drug Design (CADD) – Overview, Tools & PipelinesDr. Nilofer Shaikh
2:00 PM – 2:10 PMTea/Coffee Break
2:10 PM – 3:40 PMHands-on: CADD – Target Retrieval, Docking, and Virtual ScreeningDr. Nilofer Shaikh
3:40 PM – 4:10 PMCase Study Discussion & Q&A (from Omics to Drug Leads)Dr. Nilofer Shaikh
4:10 PM – 4:20 PMTea/Coffee Break
4:20 PM – 5:00 PMAnalytics and Statistics for Biological DataMohd. Atique Barudgar
5:00 PM – 5:30 PMHand-on with Dataset and Case StudyMohd. Atique Barudgar