[RASMB] RV: Simuflex, MonteHydro, ID Proteins

Jose Garcia de la Torre jgt at um.es
Wed May 22 03:40:59 PDT 2013


 

Dear colleagues:

 

We are glad to announce the availability of new versions of our computer
programs MONTEHYDRO and BROWFLEX for the simulation of conformation and
solution properties of models for flexible macromolecules and nanoparticles
in dilute solution. They are parts of the SIMUFLEX package, that can be
downloaded from our web site:

http://leonardo.inf.um.es/macromol/programs/programs.htm

 

The new features are described in the User Guide of each program. Among
them, there is the noteworthy possibility of simulating particles composed
by quasi-rigid cores with connecting or hanging flexible linkers or tails.
This feature has enabled the simulation of partially, intrinsically
disordered (ID) proteins; this work is the subject of an article that I
would like, also, to bring to your attention:

 

D. Amoros, A.Ortega, J. Garcia de la Torre "Prediction of hydrodynamic and
other solution properties of partially disordered proteins with a simple,
coarse-grained model" Journal of Chemical Theory and Computation, 9,
1678-1685 (2013).

 

For a complete list of our recent publications, you may consult

http://leonardo.inf.um.es/macromol/publications/lista-inver-noPDF.htm

 

We hope that this methodological contribution will contribute to extend the
use of dilute-solution properties for the strucutural elucidation of complex
biomacromolecules and nanoparticles.

 

With my warmest regards,

Jose Garcia de la Torre

 

 

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