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| Topic | Details |
|---|---|
| Molecular modeling | Assistance with constructing and analyzing molecular structures for various applications. |
| Molecular dynamics simulations | Support in simulating the motion and behavior of atoms and molecules over time. |
| Quantum chemistry simulations | Help with applying quantum mechanical principles to study chemical systems and properties. |
| Statistical mechanics | Guidance in utilizing statistical methods to understand the behavior of large chemical systems. |
| Data analysis | Support in analyzing and interpreting computational data obtained from simulations. |
| Docking | Assistance with predicting and studying the binding of molecules to protein targets. |
| Protein folding | Help with studying the folding process and stability of proteins using computational methods. |
| Materials science | Support in applying computational techniques to study the properties of materials. |
| Drug design | Guidance in designing and optimizing potential drug compounds using computational methods. |
| Reaction mechanisms | Assistance in studying the detailed pathways and kinetics of chemical reactions. |
| Spectroscopy | Help with analyzing and interpreting spectroscopic data for chemical systems. |
