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Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic

Sergio Decherchi1, José Colmenares, Chiara Eva Catalano

  • 1Department of Drug Discovery and Development, Istituto Italiano di Tecnologia, via Morego, 30, 16163 Genova, Italy.

Communications in Computational Physics
|March 23, 2013
PubMed
Summary

This study compares the skin and blobby molecular surfaces for biomolecular modeling. The skin surface shows promise as an efficient alternative to the Connolly-Richards surface for electrostatic calculations.

Keywords:
Blobby SurfaceConnolly SurfaceMolecular SurfacePoisson-BoltzmannSkin Surface

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