Results for "Ligand"
Bookmarks
AutoDock Vina: an open-source program for doing molecular docking.
...plemented by Dr. Oleg Trott in the Molecular Graphics Lab at The Scripps Research Institute. It is especially effective for protein-ligand docking. AutoDock 4 is availa...1434 days ago
VirtualFlow: a versatile, parallel workflow platform for carrying out virtual screening
...uch as SLURM). Currently, there exist two versions of VirtualFlow, which are tailored to different types of tasks: VFLP: VirtualFlow for Ligand Preparation VFVS : ...1434 days ago
GSP4PDB: a web tool to visualize, search and explore protein-ligand structural patterns
GSP4PDB is a user-friendly and efficient application to search and discover new patterns of protein-ligand interaction. GSP4PDB is part of the services provided by the Bioi...1524 days ago
vsFilt: A tool to improve virtual screening by structural filtration of docking poses
...tions, hydrophobic contacts, π-stacking, and cation-π interactions. The web-server can process large libraries of up to 150’000 docked ligand poses. The results are web-ba...1269 days ago
oGNM:Conformational dynamics based on contact topology in a coarse-grained presentation
...tallography, a protein in homo-/hetero-dimers, a part of a protein complex, the DNA in complexed with transcription factors, or even a large ligand (or ligands) in a protein. The protein d...851 days ago
