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|Molecular Modeling||Study of the physical and chemical properties of molecules using computational methods and simulations|
|Quantum Chemistry||Application of quantum mechanics principles to study the behaviour of atoms and molecules|
|Computational Thermodynamics||Investigation of thermodynamic properties and processes using computational approaches|
|Computational Kinetics||Analysis of reaction rates and mechanisms using computational methods|
|Docking Studies||Predicting and studying the binding of small molecules to target proteins or nucleic acids|
|Virtual Screening||Screening large databases of compounds to identify potential drug candidates using computational techniques|
|Cheminformatics||Application of computer science and information technology to analyze chemical data|
|Ab Initio Methods||Quantum mechanical methods that calculate properties of atoms and molecules without empirical parameters|