Conformational Search

This category contains 4 nodes.


Search for ligand conformations like those found in ligand-receptor complexes, with optional minimization of output structures.

MacroModel Conformational Search 

Macromodel conformational search using MCMM/LMOD

MacroModel Coordinate Scan 

Perform a coordinate scan of one or two coordinates

Prime Macrocycle Sampling 

Sample the conformations of a ligand-sized structure that contains macrocycles.