swMATH ID: 43645
Software Authors: W.H. Geng; R. Krasny
Description: tabipb: A treecode-accelerated boundary integral Poisson-Boltzmann solver. TABI (treecode-accelerated boundary integral) solves the linear Poisson-Boltzmann equation. The solver employs a well-conditioned boundary integral formulation for the electrostatic potential and its normal derivative on the molecular surface, which is triangulated and the integral equations are discretized by centroid collocation. The linear system is solved by GMRES iteration and the matrix-vector product is carried out by a Cartesian terraced which reduces the cost from O(N^2) to O(N*logN), where N is the number elements. REFERENCE: W.H. Geng and R. Krasny, A treecode-accelerated boundary integral Poisson-Boltzmann solver for continuum electrostatics of solvated biomolecules, J. Comput. Phys. 247, 62-87 (2013)
Homepage: https://sourceforge.net/projects/tabipb/
Related Software: TABI; MIBPB; APBS; TMSmesh; PDB2PQR; CHARMM; PBEQ-Solver; AFMPB; PyGBe; PAFMPB; Apbsmem; SDPBS; ScalFMM; Algorithm 967; ASKIT; VCMM; UHBD; GitHub; SMPBS; DelPhi Web Server
Cited in: 33 Documents

Citations by Year