scholarly journals The crystallization enthalpy and entropy of protein solutions: microcalorimetry, van't Hoff determination and linearized Poisson–Boltzmann model of tetragonal lysozyme crystals

2021 ◽  
Vol 23 (4) ◽  
pp. 2686-2696
Author(s):  
Lorena Hentschel ◽  
Jan Hansen ◽  
Stefan U. Egelhaaf ◽  
Florian Platten
Keyword(s):  
Theoretical Description ◽  
Protein Solutions ◽  
Consistent Picture ◽  
Poisson Boltzmann ◽  
Enthalpy And Entropy ◽  
Boltzmann Model ◽  
Lysozyme Crystals ◽  
Solution Parameters

Microcalorimetric and van't Hoff determinations as well as a theoretical description provide a consistent picture of the crystallization enthalpy and entropy of protein solutions and their dependence on physicochemical solution parameters.

Poisson-Boltzmann model in a solvent of interacting Langevin dipoles

2009 ◽  
Vol 88 (1) ◽  
pp. 14003 ◽  
Author(s):  
D. H. Mengistu ◽  
K. Bohinc ◽  
S. May
Keyword(s):  
Poisson Boltzmann ◽  
Langevin Dipoles ◽  
Boltzmann Model

Ionic Layering and Overcharging in Electrical Double Layers in a Poisson-Boltzmann Model

2020 ◽  
Vol 125 (18) ◽  
Author(s):  
Ankur Gupta ◽  
Ananth Govind Rajan ◽  
Emily A. Carter ◽  
Howard A. Stone
Keyword(s):  
Double Layers ◽  
Electrical Double Layers ◽  
Poisson Boltzmann ◽  
Boltzmann Model ◽  
Ionic Layering

scholarly journals Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

2013 ◽  
Vol 13 (1) ◽  
pp. 107-128 ◽  
Author(s):  
Bo Zhang ◽  
Benzhuo Lu ◽  
Xiaolin Cheng ◽  
Jingfang Huang ◽  
Nikos P. Pitsianis ◽  
...  
Keyword(s):  
Large Scale ◽  
Boundary Integral ◽  
Fast Multipole ◽  
Fast Multipole Methods ◽  
Long Time ◽  
Poisson Boltzmann ◽  
Multipole Methods ◽  
Surface Mesh Generation ◽  
Dynamics Simulations ◽  
Boltzmann Model

AbstractThis paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver. We introduce and discuss the following components in order: the Poisson-Boltzmann model, boundary integral equation reformulation, surface mesh generation, the nodepatch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel operations. For each component, we also remark on feasible approaches for further improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. The potential of the solver is demonstrated with preliminary numerical results.

Incorporating headgroup structure into the Poisson-Boltzmann model of charged lipid membranes

2013 ◽  
Vol 139 (2) ◽  
pp. 024703 ◽  
Author(s):  
Muyang Wang ◽  
Er-Qiang Chen ◽  
Shuang Yang ◽  
Sylvio May
Keyword(s):  
Lipid Membranes ◽  
Poisson Boltzmann ◽  
Boltzmann Model

scholarly journals 1P075 Docking simulation based on the Poisson-Boltzmann model

2004 ◽  
Vol 44 (supplement) ◽  
pp. S48
Author(s):  
T. Washio ◽  
H. Fukunishi ◽  
T. Takada ◽  
D. Tokushima ◽  
J. Shimada
Keyword(s):  
Docking Simulation ◽  
Simulation Based ◽  
Poisson Boltzmann ◽  
Boltzmann Model
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