Resources & Knowledge Hub
Tutorials, guides and case studies to help researchers master computational drug discovery tools and methods.
Topics We Cover
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Introduction to AI in Drug Discovery
How machine learning is transforming identification and optimization of therapeutic candidates. Request this guide
Molecular Docking: A Practical Guide
AutoDock Vina setup, protein preparation, grid box definition and result analysis. Request this guide
Network Pharmacology Methods
Building drug–target–disease networks with open-source bioinformatics tools. Request this guide
Precision Medicine & Genomics
Genomic data integration, variant analysis and biomarker identification. Request this guide
GROMACS MD Simulation Tutorial
From system setup and topology generation to production-run analysis. Request this guide
ADMET Prediction Tools
Online and offline tools for absorption, distribution, metabolism, excretion and toxicity. Request this guide
Python for Computational Chemistry
RDKit, NumPy and Pandas for descriptors and ML pipelines. Request this guide
Scientific Data Visualization
Publication-quality figures from docking, MD and network data using PyMOL and Python. Request this guide
Tutorials, Guides & Case Studies
Getting Started with AutoDock Vina
A beginner-friendly guide to running your first docking experiment with AutoDock Vina 1.2.
Top 10 Free Databases for Drug Discovery
Freely available chemical, biological and clinical databases for computational researchers.
From Docking to Publication
A complete CADD project from target selection to publication in about 3 months.
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