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Molecular mimicry is thus occurring between two recognized peptides that have similar antigenic surfaces in the absence of primary sequence homology. For example, specific single amino acid residues such as cysteine (creates di-sulfide bonds), arginine or lysine (form multiple hydrogen bonds), could be essential for T cell cross-reactivity.
Chemical mimicry (or molecular mimicry) is a type of biological mimicry involving the use of chemicals to dupe an operator. A chemical mimic dupes an operator (e.g. a predator) by showing an adaptive chemical resemblance to an object of its environment and as a consequence receives selective advantage. [ 1 ]
The concept of chemical similarity can be expanded to consider chemical similarity network theory, where descriptive network properties and graph theory can be applied to analyze large chemical space, estimate chemical diversity and predict drug target. Recently, 3D chemical similarity networks based on 3D ligand conformation have also been ...
Often, most of the amino acid polymer is indirectly involved with the enzymes function, perhaps providing ancillary structure or connectivity, indirect activity regulation, or molecular identification of the enzyme. As a result, most enzymes are large molecules weighing many kilodaltons.
Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to ...
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
Monoisotopic mass (M mi) is one of several types of molecular masses used in mass spectrometry.The theoretical monoisotopic mass of a molecule is computed by taking the sum of the accurate masses (including mass defect) of the most abundant naturally occurring stable isotope of each atom in the molecule.
In chemistry, the molar absorption coefficient or molar attenuation coefficient (ε) [1] is a measurement of how strongly a chemical species absorbs, and thereby attenuates, light at a given wavelength. It is an intrinsic property of the species.