scoring functions are mathematical functions used to approximately predict the binding affinity between two molecules after they have been docked. Most...

software Docking@Home Exscalate4Cov Ibercivis ZINC database Lead Finder Virtual screening Scoring functions for docking Ultra-large-scale docking Lengauer...

organism. Docking itself only produces plausible candidate structures. These candidates must be ranked using methods such as scoring functions to identify...

LeDock is a molecular docking software, designed for protein-ligand interactions, that is compatible with Linux, macOS, and Windows. The software can run...

2019-05-22. "Consensus Scoring ToolKit | consensus scoring optimization for protein ligand docking". Retrieved 2019-05-22. "Turning Docking and Virtual Screening...

Lead Finder's specialization in ligand docking and binding energy estimation is a result of its advanced docking algorithm and the precision with which...

Protein–ligand docking is a molecular modelling technique. The goal of protein–ligand docking is to predict the position and orientation of a ligand (a...

The program UCSF DOCK was created in the 1980s by Irwin "Tack" Kuntz's Group, and was the first docking program. DOCK uses geometric algorithms to predict...

case of protein docking, the search space consists of all possible orientations of the protein with respect to the ligand. Flexible docking in addition considers...

doi:10.1038/nrd1364. "rDock". www.ysbl.york.ac.uk. Retrieved 2020-02-12. "About | rDock". Retrieved 2020-02-12. "Protein-ligand docking bioinformatics tools...

prediction, statistical potentials or knowledge-based potentials are scoring functions derived from an analysis of known protein structures in the Protein...

functional group. OEDocking - Molecular docking tools including FRED (fast docking), HYBRID (ligand guided docking) and POSIT (ligand guided pose prediction)...

are compiled as high-quality data sets of protein-ligand complexes for docking/scoring studies. Wang R, Fang X, Lu Y, Yang CY, Wang S (2005). "The PDBbind...

computing High-throughput screening Docking (molecular) Retro screening Scoring functions Ultra-large-scale docking ZINC database Gillet V (2013). "Ligand-Based...

for improving enrichment and effectively mining potential candidates: Consensus scoring Selecting candidates by voting of multiple scoring functions May...

Maran U (January 2010). "Drug efficiency indices for improvement of molecular docking scoring functions". Journal of Computational Chemistry. 31 (1): 174–84...

of drug-like molecular properties, weak scoring functions, or insufficient docking strategies hinder the docking process. Hence, the literature has described...

mentioned when Jumba suggests that Hämsterviel just numbers Leroy as 627, only for Gantu to remind Jumba that 627 was already created), Experiment 628 (who...

"How Nintendo locked down the Switch 2's USB-C port and broke third-party docking". The Verge. Retrieved July 3, 2025. Bonthuys, Darryn (May 9, 2025). "Breaking...

rDock (previously RiboDock) is an open-source molecular docking software that be used for docking small molecules against proteins and nucleic acids. It...

FlexAID is a molecular docking software that can use small molecules and peptides as ligands and proteins and nucleic acids as docking targets. As the name...

Retrieved May 5, 2020. Jackie Cole (August 28, 2020), "Here are my boards for that sequence! These were done so long ago lol", Twitter "SHOWBUZZDAILY's...

Ultra-large-scale docking, sometimes abbreviated as Ultra-LSD, is an ultra-large-scale approach to protein–ligand docking and virtual screening. It employs...

Michigan Medical School. Comparative evaluation of 11 scoring functions for molecular docking, Renxiao Wang, Yipin Lu, Shaomeng Wang, Journal of medicinal...

favorable reviews; scoring high on looks, clean design, and ease of use. PC World wrote that iPod line has "altered the landscape for portable audio players"...

boil". In a review for The New York Times, Vincent Canby noted that "the characters, like the lethal hardware, are simply functions of the plot, which...

prediction and protein–protein docking prediction, respectively. Rosetta consistently ranks among the foremost docking predictors, and is one of the best...

failed manual docking operation, severely damaging the Endurance, but Cooper is able to regain control of the station through his own docking maneuver. With...

the hull, causing Janessa to die in the vacuum. A power failure with the docking door forces Brodski to go outside in an EVA suit to fix it. To distract...

user's iPhone for functions such as configuring the watch and syncing data with iPhone apps, but can separately connect to a Wi-Fi network for data-reliant...