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An alternative to free-energy perturbation for computing potentials of mean force in chemical space is thermodynamic integration. Another alternative, which is probably more efficient, is the Bennett acceptance ratio method. Adaptations to FEP exist which attempt to apportion free-energy changes to subsections of the chemical structure. [5]
Free open source: ms-2.de: OpenMM: No No Yes Yes Yes Yes No Yes Yes High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes Yes No Yes No Yes No Molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomic level Free open source: Orac download page ...
Fluorinated ethylene propylene was invented by DuPont and is sold under the brandname Teflon FEP. Other brandnames are Neoflon FEP from Daikin or Dyneon FEP from Dyneon/3M. FEP is very similar in composition to the fluoropolymers PTFE (polytetrafluoroethylene) and PFA (perfluoroalkoxy polymer resin). FEP and PFA both share PTFE's useful ...
Front-end loading (FEL), also referred to as Front-End Engineering Design (FEED), Front End Planning (FEP), pre-project planning (PPP), and early project planning, is the process for conceptual development of projects in processing industries such as upstream oil and gas, petrochemical, natural gas refining, extractive metallurgy, waste-to-energy, biotechnology, and pharmaceuticals.
PFA, MFA [11] (perfluoroalkoxy polymer) Sold by AGC under the tradename Fluon PFA. Sold by DuPont under the tradename Teflon-PFA. Sold by Solvay Specialty Polymers under the tradename Hyflon. [12] Neoflon : PPVE + TFE: 305 FEP (fluorinated ethylene-propylene) Sold by DuPont under the tradename Teflon FEP. Also known as Neoflon and Hyflon
This method, also called Free energy perturbation (or FEP), involves sampling from state A only. It requires that all the high probability configurations of super state B are contained in high probability configurations of super state A, which is a much more stringent requirement than the overlap condition stated above.
N.B. Pilling and R.E. Bedworth [2] suggested in 1923 that metals can be classed into two categories: those that form protective oxides, and those that cannot. They ascribed the protectiveness of the oxide to the volume the oxide takes in comparison to the volume of the metal used to produce this oxide in a corrosion process in dry air.
An example of integrated electric propulsion in the Type 45 destroyer (GT: gas turbine; DG: diesel generator) Integrated electric propulsion (IEP), full electric propulsion (FEP) or integrated full electric propulsion (IFEP) is an arrangement of marine propulsion systems such that gas turbines or diesel generators or both generate three-phase [1] electricity which is then used to power ...