19 results
- Go to itemPrepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…1
- Go to itemPrepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…0
- Go to itemDock the same set of ligands with several sets of docking parameters and compare the number of top scoring poses. [Requires: Glid…0
- Go to itemPrepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…0
- Go to itemStructure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…0
- Go to itemStructure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…0
- Go to itemAlign the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand c…0
- Go to itemPrepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…0
- Go to itemPrepare ligands with LigPrep and dock then with Glide. Inspect the poses, perform RRHO entropy calculation and post-processing wi…0
- Go to itemAlign the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand c…0
- Go to itemAlign the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand c…0
- Go to itemStructure-based Virtual Screening Workflow incorporating ligand preparation, property filtering, and successive docking using dif…0
- Go to itemAnalyze a set of PDB structures (or a molecular dynamics trajectory) with SiteMap to characterize frames for possible binding sit…0
- Go to itemAlign the binding site, and prepare PDB structures, generate the Glide grids and write them to disk. Analyze the protein-ligand c…0
- Go to itemPrepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…0
- Go to itemDock the same set of ligands with several sets of docking parameters and compare the number of top scoring poses. [Requires: Glid…0
- Go to itemPrepare and concatenate a set of co-crystallized, known active, and inactive compounds. Dock them with Glide SP and XP to compare…0
- Go to itemDock ligands into multiple conformations of the binding site and report the best pose per ligand. [Requires: Glide]0