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CGTools specifications

Information


Unique identifier OMICS_30256
Name CGTools
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Medium
Version 0.1
Stability Stable
Maintained No

Subtool


  • CG Builder

Versioning


No version available

Publication for CGTools

CGTools citations

 (4)
library_books

Models for Predicting Drug Absorption From Oral Lipid Based Formulations

2015
PMCID: 4643850
PMID: 26594613
DOI: 10.1007/s40610-015-0023-1

[…] ges in response to dilution or digestion and all-atom scale to explore drug solubilization. Tools that facilitate such a multi-scale molecular modelling approach are currently available (e.g. INSANE, CGTools and Backwards Tools) and these are likely to enable computerized representation of the restructuring of the nanoaggregates. However, it should be noted that more knowledge about the compositio […]

library_books

A combined coarse grained and all atom simulation of TRPV1 channel gating and heat activation

2015
PMCID: 4411258
PMID: 25918362
DOI: 10.1085/jgp.201411335

[…] We used the CHARMM-GUI PACE CG Builder () to embed the C-state structure of TRPV1 (Protein Data Bank [PDB] accession no. 3J5P) in a coarse-grained bilayer of POPC lipids and keep 102 POPC molecules within 10 Å of the Cα atoms of […]

library_books

LipidWrapper: An Algorithm for Generating Large Scale Membrane Models of Arbitrary Geometry

2014
PLoS Comput Biol
PMCID: 4102414
PMID: 25032790
DOI: 10.1371/journal.pcbi.1003720

[…] put is itself coarse grained, LipidWrapper generates coarse-grained models directly. Alternatively, atomistic models can be coarse grained after the fact using existing methods and tools (e.g., VMD's CGTools Plugin) , , , , .While coarse graining certainly has its utility, many important biological questions can only be answered with atomistic models. For example, accurate electrostatics calculati […]

library_books

CHARMM GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse Grained Simulations

2014
J Chem Inf Model
PMCID: 3985889
PMID: 24624945
DOI: 10.1021/ci500007n

[…] To test PACE CG Builder and verify that the generated system and simulation files work properly, we performed 100-ns simulations of various solution, micelle, and bilayer systems with the number of atoms varying f […]

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