Understand the meaning of the chelating ligand, its formation, models, and examples. Get to know more about ligand field theory, denticity, and...
[28]. The term hydrophobic was derived from the word hydrophobia and its literal meaning is “fear from water”. Thus hydrophobic residues collapse together in the surrounding aqueous environment. Hydrophobic interaction refers to the transfer of nonpolar solutes in an aqueous solution under certain ...
226,227 In contrast, this passive targeting via EPR does not occur in healthy tissues. Passive targeting has been widely used as an approach to treat cancer; tumor growth is angiogenesis dependent, meaning that a tumor requires the internal growth of a vascular supply from the surrounding ...
Consider the experimental system where target molecules occurring in solution bind to oligonucleotide probes immobilized on a microchip platform [67] (see also [76]). Note that the terms “microchip” and “biochip” are interchangeable here, meaning arrays of cells on a flat surface with each ce...
Heterophilic graphs refer to graphs where linked nodes exhibit heterophily, meaning that they have dissimilar features and different class labels [29]. Many real-world graphs, such as transaction networks [45], exhibit heterophily. Recent studies have shown that GNNs do not perform well on hete...
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an effective means f
Slow diffusing ligand molecules will take a longer time to go from a receptor to another than fast diffusing ligand molecules, meaning that two receptors will be "seen" farther from each other by slow diffusing ligand molecules. As expected changing D modifies the degree of spatial correlation ...
The meaning of final map will depend of the weights of mass. The average water density was calculated based on the final 100 frames of each long time scale MD simulations. Final output results were visualized in VMD. Interaction fingerprint calculations. The interaction fingerprint between ...
Many of these complexes have been employed in DNA targeting and in chemical biology as cellular imaging agents and as light activated therapeutics [7], [8]. This is because the tight chelation of the terpy around the metal ion prohibits the complex from adopting an idealised octahedral geometry...
X-ray crystallography has been the main source of structural information accounting for about 90% of all entries in the PDB and has been the backbone of structural biology for the last decades. With the advent of the “resolution revolution” due to improved hardware and software, cryoelectron ...