Studying Interactions by Molecular Dynamics Simulations at High Concentration

Joint Authors

Viglino, Paolo
Fogolari, Federico
Esposito, Gennaro
Ursini, Fulvio
Tosatto, Silvio C. E.
Corazza, Alessandra
Toppo, Stefano

Source

BioMed Research International

Issue

Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-9, 9 p.

Publisher

Hindawi Publishing Corporation

Publication Date

2012-02-22

Country of Publication

Egypt

No. of Pages

9

Main Subjects

Medicine

Abstract EN

Molecular dynamics simulations have been used to study molecular encounters and recognition.

In recent works, simulations using high concentration of interacting molecules have been performed.

In this paper, we consider the practical problems for setting up the simulation and to analyse the results of the simulation.

The simulation of beta 2-microglobulin association and the simulation of the binding of hydrogen peroxide by glutathione peroxidase are provided as examples.

American Psychological Association (APA)

Fogolari, Federico& Corazza, Alessandra& Toppo, Stefano& Tosatto, Silvio C. E.& Viglino, Paolo& Ursini, Fulvio…[et al.]. 2012. Studying Interactions by Molecular Dynamics Simulations at High Concentration. BioMed Research International،Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-1027911

Modern Language Association (MLA)

Fogolari, Federico…[et al.]. Studying Interactions by Molecular Dynamics Simulations at High Concentration. BioMed Research International No. 2012 (2012), pp.1-9.
https://search.emarefa.net/detail/BIM-1027911

American Medical Association (AMA)

Fogolari, Federico& Corazza, Alessandra& Toppo, Stefano& Tosatto, Silvio C. E.& Viglino, Paolo& Ursini, Fulvio…[et al.]. Studying Interactions by Molecular Dynamics Simulations at High Concentration. BioMed Research International. 2012. Vol. 2012, no. 2012, pp.1-9.
https://search.emarefa.net/detail/BIM-1027911

Data Type

Journal Articles

Language

English

Notes

Includes bibliographical references

Record ID

BIM-1027911