1. | Force Fields | 1. Molecular Mechanics (MM) 2. Force Field 3. Energy Minimization 4. Partial charges and united atoms. |
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2. | Small Molecule Docking (1/2) | 1. Search for lead compounds 2. Understand what functional groups can be optimized to improve binding |
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3. | Small Molecule Docking (1/2) | 1. Search for lead compounds 2. Understand what functional groups can be optimized to improve binding |