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.
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.
Phase modulationPhase modulation (PM) is a modulation pattern for conditioning communication signals for transmission. It encodes a message signal as variations in the instantaneous phase of a carrier wave. Phase modulation is one of the two principal forms of angle modulation, together with frequency modulation. In phase modulation, the instantaneous amplitude of the baseband signal modifies the phase of the carrier signal keeping its amplitude and frequency constant.
Amplitude modulationAmplitude modulation (AM) is a modulation technique used in electronic communication, most commonly for transmitting messages with a radio wave. In amplitude modulation, the amplitude (signal strength) of the wave is varied in proportion to that of the message signal, such as an audio signal. This technique contrasts with angle modulation, in which either the frequency of the carrier wave is varied, as in frequency modulation, or its phase, as in phase modulation.
Frequency modulationFrequency modulation (FM) is the encoding of information in a carrier wave by varying the instantaneous frequency of the wave. The technology is used in telecommunications, radio broadcasting, signal processing, and computing. In analog frequency modulation, such as radio broadcasting, of an audio signal representing voice or music, the instantaneous frequency deviation, i.e. the difference between the frequency of the carrier and its center frequency, has a functional relation to the modulating signal amplitude.
ModulationIn electronics and telecommunications, modulation is the process of varying one or more properties of a periodic waveform, called the carrier signal, with a separate signal called the modulation signal that typically contains information to be transmitted. For example, the modulation signal might be an audio signal representing sound from a microphone, a video signal representing moving images from a video camera, or a digital signal representing a sequence of binary digits, a bitstream from a computer.
Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
Phase-shift keyingPhase-shift keying (PSK) is a digital modulation process which conveys data by changing (modulating) the phase of a constant frequency carrier wave. The modulation is accomplished by varying the sine and cosine inputs at a precise time. It is widely used for wireless LANs, RFID and Bluetooth communication. Any digital modulation scheme uses a finite number of distinct signals to represent digital data. PSK uses a finite number of phases, each assigned a unique pattern of binary digits.
Single-sideband modulationIn radio communications, single-sideband modulation (SSB) or single-sideband suppressed-carrier modulation (SSB-SC) is a type of modulation used to transmit information, such as an audio signal, by radio waves. A refinement of amplitude modulation, it uses transmitter power and bandwidth more efficiently. Amplitude modulation produces an output signal the bandwidth of which is twice the maximum frequency of the original baseband signal.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
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.
Detector (radio)In radio, a detector is a device or circuit that extracts information from a modulated radio frequency current or voltage. The term dates from the first three decades of radio (1888-1918). Unlike modern radio stations which transmit sound (an audio signal) on an uninterrupted carrier wave, early radio stations transmitted information by radiotelegraphy. The transmitter was switched on and off to produce long or short periods of radio waves, spelling out text messages in Morse code.
Magnetic fieldA magnetic field is a vector field that describes the magnetic influence on moving electric charges, electric currents, and magnetic materials. A moving charge in a magnetic field experiences a force perpendicular to its own velocity and to the magnetic field. A permanent magnet's magnetic field pulls on ferromagnetic materials such as iron, and attracts or repels other magnets.
Organic matterOrganic matter, organic material, or natural organic matter refers to the large source of carbon-based compounds found within natural and engineered, terrestrial, and aquatic environments. It is matter composed of organic compounds that have come from the feces and remains of organisms such as plants and animals. Organic molecules can also be made by chemical reactions that do not involve life. Basic structures are created from cellulose, tannin, cutin, and lignin, along with other various proteins, lipids, and carbohydrates.
Mechanism (engineering)In engineering, a mechanism is a device that transforms input forces and movement into a desired set of output forces and movement. Mechanisms generally consist of moving components which may include: Gears and gear trains; Belts and chain drives; Cams and followers; Linkages; Friction devices, such as brakes or clutches; Structural components such as a frame, fasteners, bearings, springs, or lubricants; Various machine elements, such as splines, pins, or keys.
Fluid mechanicsFluid mechanics is the branch of physics concerned with the mechanics of fluids (liquids, gases, and plasmas) and the forces on them. It has applications in a wide range of disciplines, including mechanical, aerospace, civil, chemical, and biomedical engineering, as well as geophysics, oceanography, meteorology, astrophysics, and biology. It can be divided into fluid statics, the study of fluids at rest; and fluid dynamics, the study of the effect of forces on fluid motion.
ForceIn physics, a force is an influence that can cause an object to change its velocity, i.e., to accelerate, unless counterbalanced by other forces. The concept of force makes the everyday notion of pushing or pulling mathematically precise. Because the magnitude and direction of a force are both important, force is a vector quantity. It is measured in the SI unit of newton (N) and often represented by the symbol F.
Lorentz forceIn physics (specifically in electromagnetism), the Lorentz force (or electromagnetic force) is the combination of electric and magnetic force on a point charge due to electromagnetic fields. A particle of charge q moving with a velocity v in an electric field E and a magnetic field B experiences a force (in SI units) of It says that the electromagnetic force on a charge q is a combination of a force in the direction of the electric field E proportional to the magnitude of the field and the quantity of charge, and a force at right angles to the magnetic field B and the velocity v of the charge, proportional to the magnitude of the field, the charge, and the velocity.
Overconstrained mechanismIn mechanical engineering, an overconstrained mechanism is a linkage that has more degrees of freedom than is predicted by the mobility formula. The mobility formula evaluates the degree of freedom of a system of rigid bodies that results when constraints are imposed in the form of joints between the links. If the links of the system move in three-dimensional space, then the mobility formula is where N is the number of links in the system, j is the number of joints, and fi is the degree of freedom of the ith joint.
BuoyancyBuoyancy (ˈbɔɪənsi,_ˈbuːjənsi), or upthrust, is an upward force exerted by a fluid that opposes the weight of a partially or fully immersed object. In a column of fluid, pressure increases with depth as a result of the weight of the overlying fluid. Thus the pressure at the bottom of a column of fluid is greater than at the top of the column. Similarly, the pressure at the bottom of an object submerged in a fluid is greater than at the top of the object. The pressure difference results in a net upward force on the object.
