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FEP calculations have been used for studying host–guest binding energetics, pKa predictions, solvent effects on reactions, and enzymatic reactions. Other applications are the virtual screening of ligands in drug discovery , in silico mutagenesis studies [ 2 ] [ 3 ] and antibody affinity maturation. [ 4 ]
The design should be sufficient to fit a quadratic model, that is, one containing squared terms, products of two factors, linear terms and an intercept. The ratio of the number of experimental points to the number of coefficients in the quadratic model should be reasonable (in fact, their designs kept in the range of 1.5 to 2.6).
A Swiss-system tournament is a non-eliminating tournament format that features a fixed number of rounds of competition, but considerably fewer than for a round-robin tournament; thus each competitor (team or individual) does not play all the other competitors.
Since the Dirac bracket respects the constraints, one need not be careful about evaluating all brackets before using any weak equations, as is the case with the Poisson bracket. Note that while the Poisson bracket of bosonic (Grassmann even) variables with itself must vanish, the Poisson bracket of fermions represented as a Grassmann variables ...
Bra–ket notation, also called Dirac notation, is a notation for linear algebra and linear operators on complex vector spaces together with their dual space both in the finite-dimensional and infinite-dimensional case.
A pipe support or pipe hanger is a designed element that transfer the load from a pipe to the supporting structures. The load includes the weight of the pipe proper, the content that the pipe carries, all the pipe fittings attached to pipe, and the pipe covering such as insulation.
The Lie bracket is an R-bilinear operation and turns the set of all smooth vector fields on the manifold M into an (infinite-dimensional) Lie algebra. The Lie bracket plays an important role in differential geometry and differential topology , for instance in the Frobenius integrability theorem , and is also fundamental in the geometric theory ...
In mathematics, brackets of various typographical forms, such as parentheses ( ), square brackets [ ], braces { } and angle brackets , are frequently used in mathematical notation. Generally, such bracketing denotes some form of grouping: in evaluating an expression containing a bracketed sub-expression, the operators in the sub-expression take ...