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SIAMSC
2011
113views more  SIAMSC 2011»
13 years 2 months ago
An Efficient Higher-Order Fast Multipole Boundary Element Solution for Poisson-Boltzmann-Based Molecular Electrostatics
In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson–Boltzmann equation. Our approach combines sever...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Alexa...
SMA
2009
ACM
137views Solid Modeling» more  SMA 2009»
14 years 2 months ago
Hierarchical molecular interfaces and solvation electrostatics
Electrostatic interactions play a significant role in determining the binding affinity of molecules and drugs. While significant effort has been devoted to the accurate computat...
Chandrajit L. Bajaj, Shun-Chuan Albert Chen, Guoli...