Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Current sensingIn electrical engineering, current sensing is any one of several techniques used to measure electric current. The measurement of current ranges from picoamps to tens of thousands of amperes. The selection of a current sensing method depends on requirements such as magnitude, accuracy, bandwidth, robustness, cost, isolation or size. The current value may be directly displayed by an instrument, or converted to digital form for use by a monitoring or control system.
Nuclear Overhauser effectThe nuclear Overhauser effect (NOE) is the transfer of nuclear spin polarization from one population of spin-active nuclei (e.g. 1H, 13C, 15N etc.) to another via cross-relaxation. A phenomenological definition of the NOE in nuclear magnetic resonance spectroscopy (NMR) is the change in the integrated intensity (positive or negative) of one NMR resonance that occurs when another is saturated by irradiation with an RF field. The change in resonance intensity of a nucleus is a consequence of the nucleus being close in space to those directly affected by the RF perturbation.
Principle of localityIn physics, the principle of locality states that an object is influenced directly only by its immediate surroundings. A theory that includes the principle of locality is said to be a "local theory". This is an alternative to the concept of instantaneous, or "non-local" action at a distance. Locality evolved out of the field theories of classical physics. The idea is that for a cause at one point to have an effect at another point, something in the space between those points must mediate the action.
Alternating currentAlternating current (AC) is an electric current which periodically reverses direction and changes its magnitude continuously with time, in contrast to direct current (DC), which flows only in one direction. Alternating current is the form in which electric power is delivered to businesses and residences, and it is the form of electrical energy that consumers typically use when they plug kitchen appliances, televisions, fans and electric lamps into a wall socket. A common source of DC power is a battery cell in a flashlight.
Docking (molecular)In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when a ligand and a target are bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions. The associations between biologically relevant molecules such as proteins, peptides, nucleic acids, carbohydrates, and lipids play a central role in signal transduction.
Direct currentDirect current (DC) is one-directional flow of electric charge. An electrochemical cell is a prime example of DC power. Direct current may flow through a conductor such as a wire, but can also flow through semiconductors, insulators, or even through a vacuum as in electron or ion beams. The electric current flows in a constant direction, distinguishing it from alternating current (AC). A term formerly used for this type of current was galvanic current.
Current densityIn electromagnetism, current density is the amount of charge per unit time that flows through a unit area of a chosen cross section. The current density vector is defined as a vector whose magnitude is the electric current per cross-sectional area at a given point in space, its direction being that of the motion of the positive charges at this point. In SI base units, the electric current density is measured in amperes per square metre. Assume that A (SI unit: m2) is a small surface centred at a given point M and orthogonal to the motion of the charges at M.
Interplanetary magnetic fieldThe interplanetary magnetic field (IMF), now more commonly referred to as the heliospheric magnetic field (HMF), is the component of the solar magnetic field that is dragged out from the solar corona by the solar wind flow to fill the Solar System. The coronal and solar wind plasmas are highly electrically conductive, meaning the magnetic field lines and the plasma flows are effectively "frozen" together and the magnetic field cannot diffuse through the plasma on time scales of interest.
Electromagnetic fieldAn electromagnetic field (also EM field or EMF) is a classical (i.e. non-quantum) field produced by moving electric charges. It is the field described by classical electrodynamics (a classical field theory) and is the classical counterpart to the quantized electromagnetic field tensor in quantum electrodynamics (a quantum field theory). The electromagnetic field propagates at the speed of light (in fact, this field can be identified as light) and interacts with charges and currents.
