There are 3042 nodes that can be used as successor
for a node with an output port of type Table.
Minimize molecules using MacroModel
Runs the refinement stage of protein preparation.
Perform a coordinate scan of one or two coordinates
Macromodel conformational search using MCMM/LMOD
Search for ligand conformations like those found in ligand-receptor complexes, with optional minimization of output structures.
Sample the conformations of a ligand-sized structure that contains macrocycles.
Calculate the energy of a molecule using MacroModel
Conformer Cluster
The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so […]
Set up and run Desmond molecular dynamics simulations.
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to mail@nodepit.com.
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.