The Small Molecule Design category covers the tools and concepts used in Foldit small molecule design puzzles.
The terms "small molecule design" and "ligand design" are used interchangeably and inconsistently in Foldit. In small molecule design puzzles, the ligand is the non-protein part that's being designed. The ligand needs to bind to a protein in these puzzles, but the protein is likely to be completely locked. (In some cases, a few protein sidechains may be unlocked and able to move.)
The term drug design was also previously used for this type of puzzle. The meaning is the same.
All items (18)
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- Small molecule design/Atom identification and selection
- Small molecule design/Atom Selection
- Small molecule design/Attachment Panel
- Small molecule design/Bond Selection
- Small molecule design/Cleanup Structure
- Small molecule design/Fragment Selection
- Small molecule design/Functional Groups
- Small molecule design/Functional Groups gallery
- Small Molecule Design/Ligand Properties
- Small molecule design/Polycyclic
- Small Molecule Design/Polycyclic gallery
- Small molecule design/Saturated Cyclic
- Small Molecule Design/Saturated Cyclic gallery
- Small Molecule Design/Small Molecule Properties
- Small Molecule Design/Small Molecule View Options
- Small molecule design/Unsaturated Cyclic
- Small Molecule Design/Unsaturated Cyclic gallery