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.
