In this paper, a method of simulating the docking of small flexible ligands to flexible receptors in water is reported. The method is based on molecular dynamics simulations and is an extension of an algorithm previously reported by Di Nola et al. (Di Nola et al., Proteins 1994;19:174-182). The meth
Flexible approach to dynamic simulation of voltage collapse phenomenon
β Scribed by N. Rajakovic; D. Tasic
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 506 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1430-144X
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β¦ Synopsis
This paper presents the dynamic sirnulation of voltage collapse phenomenon in a flexible manner concerning modelling complexity. In that respect a special attention has been paid to modelling aspects of induction motor as a representative of variety of loads. A complete mathematical model used in this paper f o r the study of dynamic behaviour of an induction motor consists offive differential equations. This set of equations is solved by using the Runge-Kutta method. As a parallel model a simplified approach is considered (without differential equations) reduced to algebraic network equations and the equation of motion. The efSect of transformers equipped with automatic under load tap changers is d s o simultrted. The complete model is rigorous enough in order to calculate the precise voltage-time and P-U curves during the induction motor start-up procedure, while the simplified model can be irsedfor calculation of P-U curves on!.. Results from this study can be used for real-time svstem control cictions and for induction motor relav settings.
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## Abstract A new approach to the calculation of the free energy of solvation from trajectories obtained by molecular dynamics simulation is presented. The free energy of solvation is computed as the sum of three contributions originated at the cavitation of the solute by the solvent, the soluteβso