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|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.|