Between algorithm and model: different molecular surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution S Decherchi, J Colmenares, CE Catalano, M Spagnuolo, E Alexov, ... Communications in computational physics 13 (1), 61-89, 2013 | 64 | 2013 |
GPU linear and non-linear Poisson–Boltzmann solver module for DelPhi J Colmenares, J Ortiz, W Rocchia Bioinformatics 30 (4), 569-570, 2014 | 12 | 2014 |
A combined MPI-CUDA parallel solution of linear and nonlinear Poisson-Boltzmann equation J Colmenares, A Galizia, J Ortiz, A Clematis, W Rocchia BioMed research international 2014, 2014 | 11 | 2014 |
Solving the Linearized Poisson-Boltzmann Equation on GPUs using CUDA J Colmenares, J Ortiz, S Decherchi, A Fijany, W Rocchia Parallel, Distributed and Network-Based Processing (PDP), 2013 21st …, 2013 | 10 | 2013 |
Cuda accelerated blobby molecular surface generation D D’Agostino, S Decherchi, A Galizia, J Colmenares, A Quarati, ... Parallel Processing and Applied Mathematics, 347-356, 2012 | 8 | 2012 |
Pore-scale modelling of electrical phenomena in porous media with implications for induced polarization and self-potential methods JB Colmenares | | 2015 |
Estimation of Solvation Electrostatic Free Energy of Biomolecular Systems by Numerical Solution of the Poisson–Boltzmann Equation J Colmenares, S Decherchi, W Rocchia Electrostatics of Soft and Disordered Matter, 299, 2014 | | 2014 |
CUDA Accelerated Blobby Molecular Surface GenerationParallel Processing and Applied Mathematics A Quarati, J Colmenares, A Galizia, W Rocchia, S Decherchi, ... Springer Berlin Heidelberg 7203, 347-356, 2012 | | 2012 |