Molecular dynamicsMolecular 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. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Rate equationIn chemistry, the rate law or rate equation for a chemical reaction is a mathematical equation that links the rate of forward reaction with the concentrations or pressures of the reactants and constant parameters (normally rate coefficients and partial reaction orders). For many reactions, the initial rate is given by a power law such as where [\mathrm{A}] and [\mathrm{B}] express the concentration of the species \mathrm{A} and \mathrm{B}, usually in moles per liter (molarity, M).
Graphical user interfaceThe graphical user interface, or GUI (ˌdʒi:juːˈaɪ or ˈɡu:i ), is a form of user interface that allows users to interact with electronic devices through graphical icons and audio indicators such as primary notation, instead of text-based UIs, typed command labels or text navigation. GUIs were introduced in reaction to the perceived steep learning curve of command-line interfaces (CLIs), which require commands to be typed on a computer keyboard. The actions in a GUI are usually performed through direct manipulation of the graphical elements.
User interfaceIn the industrial design field of human–computer interaction, a user interface (UI) is the space where interactions between humans and machines occur. The goal of this interaction is to allow effective operation and control of the machine from the human end, while the machine simultaneously feeds back information that aids the operators' decision-making process. Examples of this broad concept of user interfaces include the interactive aspects of computer operating systems, hand tools, heavy machinery operator controls and process controls.
History of the graphical user interfaceThe history of the graphical user interface, understood as the use of graphic icons and a pointing device to control a computer, covers a five-decade span of incremental refinements, built on some constant core principles. Several vendors have created their own windowing systems based on independent code, but with basic elements in common that define the WIMP "window, icon, menu and pointing device" paradigm. There have been important technological achievements, and enhancements to the general interaction in small steps over previous systems.
Chemical kineticsChemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. It is different from chemical thermodynamics, which deals with the direction in which a reaction occurs but in itself tells nothing about its rate. Chemical kinetics includes investigations of how experimental conditions influence the speed of a chemical reaction and yield information about the reaction's mechanism and transition states, as well as the construction of mathematical models that also can describe the characteristics of a chemical reaction.
Enzyme kineticsEnzyme kinetics is the study of the rates of enzyme-catalysed chemical reactions. In enzyme kinetics, the reaction rate is measured and the effects of varying the conditions of the reaction are investigated. Studying an enzyme's kinetics in this way can reveal the catalytic mechanism of this enzyme, its role in metabolism, how its activity is controlled, and how a drug or a modifier (inhibitor or activator) might affect the rate. An enzyme (E) is typically a protein molecule that promotes a reaction of another molecule, its substrate (S).
Zooming user interfaceIn computing, a zooming user interface or zoomable user interface (ZUI, pronounced zoo-ee) is a graphical environment where users can change the scale of the viewed area in order to see more detail or less, and browse through different documents. A ZUI is a type of graphical user interface (GUI). Information elements appear directly on an infinite virtual desktop (usually created using vector graphics), instead of in windows. Users can pan across the virtual surface in two dimensions and zoom into objects of interest.
User interface designUser interface (UI) design or user interface engineering is the design of user interfaces for machines and software, such as computers, home appliances, mobile devices, and other electronic devices, with the focus on maximizing usability and the user experience. In computer or software design, user interface (UI) design primarily focuses on information architecture. It is the process of building interfaces that clearly communicates to the user what's important. UI design refers to graphical user interfaces and other forms of interface design.
Graphical widgetA graphical widget (also graphical control element or control) in a graphical user interface is an element of interaction, such as a button or a scroll bar. Controls are software components that a computer user interacts with through direct manipulation to read or edit information about an application. User interface libraries such as Windows Presentation Foundation, Qt, GTK, and Cocoa, contain a collection of controls and the logic to render these.
