10 results
- Go to itemSearch a protein sequence database using BLAST Note: To enable web-based searching, please ensure the option "Allow use of web se…0
- Go to itemSet up a sequence of jobs in which ligands are docked with Glide, then Prime Refinement is used to allow the receptor to relax, a…0
- Go to itemBuild homology models using Prime starting from a pairwise sequence alignment. Backend implementation scripts/bldstructCLI.py run…0
- Go to itemEvaluate the energy and its components for one or more proteins Backend implementation scripts/refinestructCLI.py run by cmdRunne…0
- Go to itemMinimize molecules using Prime. Note that Prime uses OPLS 2000 for the receptor/protein and OPLS 2001 for the ligand. Backend imp…0
- Go to itemRefine the structure of loops in the input protein ligand. Backend implementation scripts/refinestructCLI.py run by cmdRunner.py …0
- Go to itemThis node runs protein structure refinement by prediction side chains using the Protein Local Optimization Program (PLOP). The res…0
- Go to itemAssign chi angles in residues and orientation of waters. Backend implementation utilities/protassign The command line utility pro…0
- Go to itemThe Protein Preparation Wizard allows you to take a protein from its raw state, (which may be missing hydrogen atoms and have inc…0
- Go to itemBioluminate residue scanning: Mutates and refines residues and proteins For complete documentation, click the Help button ("?") i…0