FIND ARTICLE

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1
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The paper presents a brief overview of how to describe the effects of the polar environment in the molecular dynamics simulations bioukładów. Discussed in greater detail: (1) scaling electrostatic interactions, (2) the potential of solvation, (3) the effect of polarization of the solvent, and (4) inclusion of explicit water molecules. Given the theoretical basis for methods and possible areas of applications. The sequence corresponds to discuss methods of increasing complexity in parallel with their computational demands. Finally, a water molecule selected parameterizations which the aim is to reproduce the properties of water in the condensed phase.

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The Editorial Board
Andrzej Łukaszyk - przewodniczący, Zofia Bielańska-Osuchowska, Szczepan Biliński, Mieczysław Chorąży, Aleksander Koj, Włodzimierz Korochoda, Leszek Kuźnicki, Aleksandra Stojałowska, Lech Wojtczak

Editorial address:
Katedra i Zakład Histologii i Embriologii Uniwersytetu Medycznego w Poznaniu, ul. Święcickiego 6, 60-781 Poznań, tel. +48 61 8546453, fax. +48 61 8546440, email: mnowicki@ump.edu.pl

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