RANK Ligand (R2) Antibody

Off-Target Networks Derived from Ligand Set Similarity

of drug targets, we calculated the similarity among sets using ligand topology. We developed a statistical model to rank the resulting scores, which were then expressed in minimum spanning trees. We have shown that biologically sensible groups of targets

Flexible Ligand Docking with Glide

for predicting protein?ligand binding modes and ranking ligands via high?throughput virtual screening. Glide utilizes two different scoring functions, SP and XP GlideScore, to rank?order compounds. Three modes of sampling ligand conformational and positional

Using AutoDock for Ligand‐Receptor Docking

up and analyze ligand?protein docking calculations using AutoDock and the graphical user interface, AutoDockTools (ADT). The AutoDock scoring function is a subset of the AMBER force field that treats molecules using the United Atom model. The unit uses an X?ray