Top 10 similar words or synonyms for surflex

flexx    0.769714

cdocker    0.750299

autodock    0.726624

cluspro    0.702968

patchdock    0.688313

rarey    0.684226

gemdock    0.682940

glidescore    0.679205

flexpepdock    0.672265

zdock    0.665377

Top 30 analogous words or synonyms for surflex

Your secret weapon. Online courses as low as $11.99

Article Example
Lead Finder Docking success rate was benchmarked as a percentage of correctly docked ligands (for which top-scored pose was within 2 Å RMSD from the reference ligand coordinates) for a set of protein-ligand complexes extracted from PDB. A set of 407 protein-ligand complexes was used for current docking success rate measurements. This set of complexes was combined from test sets used in original benchmarking studies of such docking programs as: FlexX, Glide SP, Glide XP, Gold, LigandFit, MolDock, Surflex.
Searching the conformational space for docking The most common technique used in many docking programs, shape-complementarity methods focus on the match between the receptor and the ligand in order to find an optimal pose. Programs include DOCK, FRED, GLIDE, SURFLEX, eHiTS and many more. Most methods describe the molecules in terms of a finite number of descriptors that include structural complementarity and binding complementarity. Structural complementarity is mostly a geometric description of the molecules, including solvent-accessible surface area, overall shape and geometric constraints between atoms in the protein and ligand. Binding complementarity takes into account features like hydrogen bonding interactions, hydrophobic contacts and van der Waals interactions to describe how well a particular ligand will bind to the protein. Both kinds of descriptors are conveniently represented in the form of structural templates which are then used to quickly match potential compounds (either from a database or from the user-given inputs) that will bind well at the active site of the protein. Compared to the all-atom molecular dynamics approaches, these methods are very efficient in finding optimal binding poses for the protein and ligand.