Functional derivativeIn the calculus of variations, a field of mathematical analysis, the functional derivative (or variational derivative) relates a change in a functional (a functional in this sense is a function that acts on functions) to a change in a function on which the functional depends. In the calculus of variations, functionals are usually expressed in terms of an integral of functions, their arguments, and their derivatives.
Gateaux derivativeIn mathematics, the Gateaux differential or Gateaux derivative is a generalization of the concept of directional derivative in differential calculus. Named after René Gateaux, a French mathematician who died at age 25 in World War I, it is defined for functions between locally convex topological vector spaces such as Banach spaces. Like the Fréchet derivative on a Banach space, the Gateaux differential is often used to formalize the functional derivative commonly used in the calculus of variations and physics.
Group theoryIn abstract algebra, group theory studies the algebraic structures known as groups. The concept of a group is central to abstract algebra: other well-known algebraic structures, such as rings, fields, and vector spaces, can all be seen as groups endowed with additional operations and axioms. Groups recur throughout mathematics, and the methods of group theory have influenced many parts of algebra. Linear algebraic groups and Lie groups are two branches of group theory that have experienced advances and have become subject areas in their own right.
Functional (mathematics)In mathematics, a functional (as a noun) is a certain type of function. The exact definition of the term varies depending on the subfield (and sometimes even the author). In linear algebra, it is synonymous with linear forms, which are linear mappings from a vector space into its field of scalars (that is, they are elements of the dual space ) In functional analysis and related fields, it refers more generally to a mapping from a space into the field of real or complex numbers.
Affine groupIn mathematics, the affine group or general affine group of any affine space is the group of all invertible affine transformations from the space into itself. In the case of a Euclidean space (where the associated field of scalars is the real numbers), the affine group consists of those functions from the space to itself such that the image of every line is a line. Over any field, the affine group may be viewed as a matrix group in a natural way. If the associated field of scalars the real or complex field, then the affine group is a Lie group.
Logarithmic derivativeIn mathematics, specifically in calculus and complex analysis, the logarithmic derivative of a function f is defined by the formula where is the derivative of f. Intuitively, this is the infinitesimal relative change in f; that is, the infinitesimal absolute change in f, namely scaled by the current value of f. When f is a function f(x) of a real variable x, and takes real, strictly positive values, this is equal to the derivative of ln(f), or the natural logarithm of f.
Protein designProtein design is the rational design of new protein molecules to design novel activity, behavior, or purpose, and to advance basic understanding of protein function. Proteins can be designed from scratch (de novo design) or by making calculated variants of a known protein structure and its sequence (termed protein redesign). Rational protein design approaches make protein-sequence predictions that will fold to specific structures.
Protein foldingProtein folding is the physical process where a protein chain is translated into its native three-dimensional structure, typically a "folded" conformation, by which the protein becomes biologically functional. Via an expeditious and reproducible process, a polypeptide folds into its characteristic three-dimensional structure from a random coil. Each protein exists first as an unfolded polypeptide or random coil after being translated from a sequence of mRNA into a linear chain of amino acids.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Wirtinger derivativesIn complex analysis of one and several complex variables, Wirtinger derivatives (sometimes also called Wirtinger operators), named after Wilhelm Wirtinger who introduced them in 1927 in the course of his studies on the theory of functions of several complex variables, are partial differential operators of the first order which behave in a very similar manner to the ordinary derivatives with respect to one real variable, when applied to holomorphic functions, antiholomorphic functions or simply differentiabl
