Interactive Simulations
Hands-on virtual experiments and molecular visualization tools
PHET
PhET Interactive Simulations is a free, research-based platform that provides interactive science and math simulations. It’s widely used by students, teachers, and universities.
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ChemTube3D
ChemTube3D contains interactive 3D chemistry animations and structures for students studying some of the most important topics in advanced school chemistry.
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Spectroscopy Simulator
NMR spectroscopy is certainly the analytical methodology that provides the most information about a molecule. Teaching and interpreting spectra may however be challenging. .
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Industry-standard software for computational chemistry and molecular modeling
PDB Database
RCSB Protein Data Bank (RCSB PDB) enables breakthroughs in science and education.
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IMPPAT Database
Indian Medicinal Plants, Phytochemistry And Therapeutics 2.0 (IMPPAT 2.0) is a manually curated database .
KEGG Database
KEGG is a database resource for understanding high-level functions and utilities of biological systems.
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PubChem
PubChem® is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers.
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DrugBank
The operating system built to drive intelligence workflows across biopharma to accelerate decision confidenceand uncover high-value opportunities.
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SwissADME
This Web tool is operated by the Molecular Modelling Group of the University of Lausanne and the SIB Swiss Institute of Bioinformatics.
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Lipinski Rule of Five
Lipinski rule of 5 helps in distinguishing between drug like and non drug like molecules it predicts high probability of success or failure.
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OPENBABEL
OpenBabel allows to convert nearly all the chemical formats and it very practical to quickly move from one program to another.
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CBDock2 server
CB-Dock2 is an improved version of the CB-Dock server for protein-ligand blind docking, integrating cavity detection, docking and homologous template fitting.
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Free educational materials, guides, and comprehensive tutorials
Quantum Chemistry Basics
Introduction to quantum mechanics and computational methods
Molecular Docking Guide
Comprehensive tutorial on protein-ligand docking techniques
Reaction Kinetics
Understanding reaction rates and chemical kinetics fundamentals
Spectroscopy Techniques
NMR, IR, and UV-Vis spectroscopy fundamentals and applications
Computational Methods
DFT, molecular dynamics, and advanced simulation techniques
Organic Reaction Mechanisms
Detailed guide to common organic chemistry reaction pathways
Crystallography Essentials
X-ray crystallography and structural analysis fundamentals