𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Simul 5 – Free dynamic simulator of electrophoresis

✍ Scribed by Vlastimil Hruška; Michal Jaroš; Bohuslav Gaš


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
290 KB
Volume
27
Category
Article
ISSN
0173-0835

No coin nor oath required. For personal study only.

✦ Synopsis


Abstract

We introduce the mathematical model of electromigration of electrolytes in free solution together with free software Simul, version 5, designed for simulation of electrophoresis. The mathematical model is based on principles of mass conservation, acid–base equilibria, and electroneutrality. It accounts for any number of multivalent electrolytes or ampholytes and yields a complete picture about dynamics of electromigration and diffusion in the separation channel. Additionally, the model accounts for the influence of ionic strength on ionic mobilities and electrolyte activities. The typical use of Simul is: inspection of system peaks (zones), stacking and preconcentrating analytes, resonance phenomena, and optimization of separation conditions, in either CZE, ITP, or IEF.


📜 SIMILAR VOLUMES


λ-Dynamics free energy simulation method
✍ Jennifer L. Knight; Charles L. Brooks III 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 134 KB

## Abstract Free energy calculations are fundamental to obtaining accurate theoretical estimates of many important biological phenomena including hydration energies, protein‐ligand binding affinities and energetics of conformational changes. Unlike traditional free energy perturbation and thermodyn

Molecular dynamics simulation of the fre
✍ J. Oberbrodhage; H. Morgner; O. Tapia; H. O. G. Siegbahn 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 318 KB 👁 3 views

Molecular dynamics simulations of liquid formamide HCONH were 2 carried out using the GROMOS software. The formamide molecule is represented by all of its atoms with all internal degrees of freedom. In contrast to other simulations dealing with bulk properties, this study focuses on the interface li

Calculation of ligand binding free energ
✍ J. Marelius; T. Hansson; J. Åqvist 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 247 KB 👁 3 views

A recently developed method for predicting binding affinities in ligand᎐receptor complexes, based on interaction energy averaging and conformational sampling by molecular dynamics simulation, is presented. Polar and nonpolar contributions to the binding free energy are approximated by a linear scali