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The development of the Biomolecular Interaction Network Database (BIND) has been supported by grants from the Canadian Institutes of Health Research , Genome Canada, [4] the Canadian Foundation for Innovation and the Ontario Research and Development Fund. BIND was originally designed to be a constantly growing depository for information ...
Other participating databases include the Biomolecular Interaction Network Database (BIND), [6] IntAct, [7] the Molecular Interaction Database (MINT), [8] MIPS, [9] MPact, and BioGRID. [5] The databases of IMEx work together to prevent duplications of effort, collecting data from non-overlapping sources and sharing the curated interaction data.
The PDBbind database is a comprehensive collection of experimentally measured binding affinity data (Kd, Ki, and IC50) for the protein-ligand complexes deposited in the Protein Data Bank (PDB). [ 1 ] [ 2 ] It thus provides a link between energetic and structural information of protein-ligand complexes, which is of great value to various studies ...
Rotating cell‑based ligand binding assay using radioactivity or fluorescence, is a recent method that measures molecular interactions in living cells in real-time. This method allows the characterization of the binding mechanism, as well as K d, k on and k off. This principle is being applied in several studies, mainly with protein ligands ...
JASPAR: a database of manually curated, non-redundant transcription factor binding profiles. MetOSite : a database about methionine sulfoxidation sites and its functional roles in proteins [ 35 ] Healthcare Cost and Utilization Project (HCUP) is the largest collection of hospital care data in the United States.
(I) Free energy perturbation (FEP) simulations, (II) empirical valence bond (EVB), calculations of reaction free energies, (III) linear interaction energy (LIE) calculations of receptor-ligand binding affinities Free open source GNU GPLv2 or later Q: QuantumATK: Yes Yes Yes Yes Yes No Yes Yes Yes Complete atomistic modeling platform for ...
Bio-layer interferometry (BLI) is an optical biosensing technology that analyzes biomolecular interactions in real-time without the need for fluorescent labeling. [1] Alongside Surface Plasmon Resonance , BLI is one of few widely available label-free biosensing technologies, a detection style that yields more information in less time than ...
The phrase "drug design" is similar to ligand design (i.e., design of a molecule that will bind tightly to its target). [6] Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, and side effects, that first must be optimized before a ligand can become a safe and effictive drug.