Titlebook: Systems Biology; Functional Strategie Leszek Konieczny,Irena Roterman-Konieczna,Paweł Sp Book 20141st edition Springer Science+Business Med

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Leszek Konieczny,Irena Roterman-Konieczna,Paweł Spólnik both the exchange repulsion between solute and solvent and the packing effects an environment has on a molecule, in particular on diffuse states of the molecule. The statistical mechanical problem is solved with an exact Metropolis–Monte Carlo simulation that requires several similar quantum chemic

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e quantum-mechanical (QM) or the molecular mechanics (MM) level, without significant loss of accuracy. This allows for performing fully MM molecular simulations (Monte Carlo, molecular dynamics), which can subsequently be followed by performing QM/MM calculations on a selected number of representati

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978-3-319-34588-8Springer Science+Business Media Dordrecht 2014

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Leszek Konieczny,Irena Roterman-Konieczna,Paweł SpThe book provides a framework for developing a greater understanding of this exciting and new area of research.This book will help to enable the reader to develop an understanding of genetic and chemi

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Leszek Konieczny,Irena Roterman-Konieczna,Paweł Spólnik of molecular reactions inside the condensed phase as emphasized in the introduction chapter. The reaction process is described by a multi-state equation as given by Eq. 1.71. In the special limit ., the multi-state equation reduces to an effective single-state description. And so far, the literatur

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