Molecular modelling
The term “Molecular Modelling” serves as an effective tool to visualize and stimulate the three-dimensional structures so as to predict and analyze the behavior and properties of macromolecules from the atomic level to data mining. This technique paves a way to organize compound properties into the database in order to develop novel drug compounds by performing virtual drug screening. Molecular modeling helps in representing molecular structures using computers with the equations of quantum and classical physics which takes to the discovery of new lead components in drugs.
- Quantum Mechanics
- Molecular Mechanics
- Molecular docking
- Ab initio methods
- DFT methods (Density Functional Theory)
- Semiimpirical Methods
Related Conference of Molecular modelling
October 27-28, 2025
11th International Conference and Expo on Ceramics and Composite Materials
London, UK
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23rd International Conference and Exhibition on Materials Science and Chemistry
Paris, France
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