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000890217 1001_ $$0P:(DE-Juel1)184958$$aMarchetto, Alessandro$$b0
000890217 245__ $$aCGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations
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000890217 520__ $$aAdvances in coarse-grained molecular dynamics (CGMD) simulations have extended the use of computational studies on biological macromolecules and their complexes, as well as the interactions of membrane protein and lipid complexes at a reduced level of representation, allowing longer and larger molecular dynamics simulations. Here, we present a computational platform dedicated to the preparation, running, and analysis of CGMD simulations. The platform is built on a completely revisited version of our Martini coarsE gRained MembrAne proteIn Dynamics (MERMAID) web server, and it integrates this with other three dedicated services. In its current version, the platform expands the existing implementation of the Martini force field for membrane proteins to also allow the simulation of soluble proteins using the Martini and the SIRAH force fields. Moreover, it offers an automated protocol for carrying out the backmapping of the coarse-grained description of the system into an atomistic one.
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000890217 7001_ $$0P:(DE-Juel1)173772$$aSi Chaib, Zeineb$$b1
000890217 7001_ $$0P:(DE-HGF)0$$aRossi, Carlo Alberto$$b2
000890217 7001_ $$0P:(DE-Juel1)186965$$aRibeiro, Rui$$b3$$ufzj
000890217 7001_ $$0P:(DE-HGF)0$$aPantano, Sergio$$b4
000890217 7001_ $$0P:(DE-Juel1)145921$$aRossetti, Giulia$$b5$$eCorresponding author
000890217 7001_ $$0P:(DE-Juel1)165199$$aGiorgetti, Alejandro$$b6$$eCorresponding author$$ufzj
000890217 773__ $$0PERI:(DE-600)2008644-1$$a10.3390/molecules25245934$$gVol. 25, no. 24, p. 5934 -$$n24$$p5934 -$$tMolecules$$v25$$x1420-3049$$y2020
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