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.
Chloride channelChloride channels are a superfamily of poorly understood ion channels specific for chloride. These channels may conduct many different ions, but are named for chloride because its concentration in vivo is much higher than other anions. Several families of voltage-gated channels and ligand-gated channels (e.g., the CaCC families) have been characterized in humans. Voltage-gated chloride channels perform numerous crucial physiological and cellular functions, such as controlling pH, volume homeostasis, transporting organic solutes, regulating cell migration, proliferation, and differentiation.
Binary entropy functionIn information theory, the binary entropy function, denoted or , is defined as the entropy of a Bernoulli process with probability of one of two values. It is a special case of , the entropy function. Mathematically, the Bernoulli trial is modelled as a random variable that can take on only two values: 0 and 1, which are mutually exclusive and exhaustive. If , then and the entropy of (in shannons) is given by where is taken to be 0. The logarithms in this formula are usually taken (as shown in the graph) to the base 2.
Calvin cycleThe Calvin cycle, light-independent reactions, bio synthetic phase, dark reactions, or photosynthetic carbon reduction (PCR) cycle of photosynthesis is a series of chemical reactions that convert carbon dioxide and hydrogen-carrier compounds into glucose. The Calvin cycle is present in all photosynthetic eukaryotes and also many photosynthetic bacteria. In plants, these reactions occur in the stroma, the fluid-filled region of a chloroplast outside the thylakoid membranes.
Ligand efficiencyLigand efficiency is a measurement of the binding energy per atom of a ligand to its binding partner, such as a receptor or enzyme. Ligand efficiency is used in drug discovery research programs to assist in narrowing focus to lead compounds with optimal combinations of physicochemical properties and pharmacological properties. Mathematically, ligand efficiency (LE) can be defined as the ratio of Gibbs free energy (ΔG) to the number of non-hydrogen atoms of the compound: LE = -(ΔG)/N where ΔG = −RTlnKi and N is the number of non-hydrogen atoms.
Motor soft starterA motor soft starter is a device used with AC electrical motors to temporarily reduce the load and torque in the powertrain and electric current surge of the motor during start-up. This reduces the mechanical stress on the motor and shaft, as well as the electrodynamic stresses on the attached power cables and electrical distribution network, extending the lifespan of the system. It can consist of mechanical or electrical devices, or a combination of both.
Entropy in thermodynamics and information theoryThe mathematical expressions for thermodynamic entropy in the statistical thermodynamics formulation established by Ludwig Boltzmann and J. Willard Gibbs in the 1870s are similar to the information entropy by Claude Shannon and Ralph Hartley, developed in the 1940s. The defining expression for entropy in the theory of statistical mechanics established by Ludwig Boltzmann and J. Willard Gibbs in the 1870s, is of the form: where is the probability of the microstate i taken from an equilibrium ensemble, and is the Boltzmann's constant.
Rosetta (bioinformatics)Rosetta is a software package for protein structure prediction. Originally introduced by the Baker laboratory at the University of Washington in 1998 as an ab initio approach to structure prediction, Rosetta has since branched into several development streams and distinct services, providing features such as macromolecular docking and protein design. Many of the graduate students and other researchers involved in Rosetta's initial development have since moved to other universities and research institutions, and subsequently enhanced different parts of the Rosetta project.
Metabotropic receptorA metabotropic receptor, also referred to by the broader term G-protein-coupled receptor, is a type of membrane receptor that initiates a number of metabolic steps to modulate cell activity. The nervous system utilizes two types of receptors: metabotropic and ionotropic receptors. While ionotropic receptors form an ion channel pore, metabotropic receptors are indirectly linked with ion channels through signal transduction mechanisms, such as G proteins. Both receptor types are activated by specific chemical ligands.
Ischemic colitisIschemic colitis (also spelled ischaemic colitis) is a medical condition in which inflammation and injury of the large intestine result from inadequate blood supply. Although uncommon in the general population, ischemic colitis occurs with greater frequency in the elderly, and is the most common form of bowel ischemia. Causes of the reduced blood flow can include changes in the systemic circulation (e.g. low blood pressure) or local factors such as constriction of blood vessels or a blood clot.
