Publications

Here, the publications related to the "electrostaticszone" project are reported:

A general and robust ray casting based algorithm for triangulating surfaces at the nanoscale
Decherchi S., and Rocchia W.
PLOS ONE 10.1371/journal.pone.0059744, Research Article, (2013).

Estimation of solvation electrostatic free energy of biomolecular systems by numerical solution of the Poisson-Boltzmann equation
Colmenares J., Decherchi S., and Rocchia W.
Proceedings of the "New Challenges in Electrostatics of Soft and Disordered Matter" CECAM conference, (Toulouse, 2012)

Solving  the Poisson-Boltzmann Equation on GPUs using CUDA
Colmenares J., Ortiz J., Decherchi S., Fijany A. and Rocchia W.
The 21st Euromicro International Conference on Parallel, Distributed, and Network-Based Processing (PDP 2013)

Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution
Decherchi S., Colmenares J., Catalano C. E., Spagnuolo M., Alexov E. and Rocchia W.
Communications in Computational Physics, vol. 13, (no. 1), pp. 61-89

CUDA Accelerated Blobby Molecular Surface Generation
D'Agostino D., Decherchi S., Galizia A., Colmenares J., Quarati A., Rocchia W. and Clematis A.
Lecture Notes in Computer Science, Parallel Processing and Applied Mathematics 2011, Springer Berlin Heidelberg, Torun (Poland), 978-3-540-38625-4

DelPhi Web Server: A comprehensive online suite for electrostatic calculations of biological macromolecules and their complexes
Sarkar S., Witham S., Zhang J., Zhenirovsky M., Rocchia W. and Alexov E.
Communications in Computational Physics, vol. 13, (no. 1), pp. 269-284

Using DelPhi capabilities to mimic protein's conformational reorganization with amino acid specific dielectric constants
Lin Wang, Zhe Zhang, Rocchia W. and Alexov E.
Communications in Computational Physics, vol. 13, (no. 1), pp. 13-30