Evidence map›Paper›PMID 33378855›Full record

ArticleMathematical biosciences and engineering : MBE2020

A Newton-like iterative method implemented in the DelPhi for solving the nonlinear Poisson-Boltzmann equation.

Chuan Li, Mark McGowan, Emil Alexov, Shan Zhao

Abstract read
In one paragraph

Article in Mathematical biosciences and engineering : MBE, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed
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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Chuan LiDepartment of Mathematics, West Chester University of Pennsylvania, West Chester, Pennsylvania 19383, USA.
Mark McGowanDepartment of Mathematics, University of Alabama, Tuscaloosa, AL 35487, USA.
Emil AlexovDepartment of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, USA.
Shan ZhaoDepartment of Mathematics, University of Alabama, Tuscaloosa, AL 35487, USA.

Funding

New Generation DelPhi: large systems and beyond electrostaticsR01GM093937 · NIGMS · CLEMSON UNIVERSITY · PI ALEXOV, EMIL GEORGIEV · 2010 to 2023
$4.3M
NIGMS NIH HHS R01 GM093937
6 · The paper itself

Abstract

DelPhi is a popular scientific program which numerically solves the Poisson-Boltzmann equation (PBE) for electrostatic potentials and energies of biomolecules immersed in water via finite difference method. It is well known for its accuracy, reliability, flexibility, and efficiency. In this work, a new edition of DelPhi that uses a novel Newton-like method to solve the nonlinear PBE, in addition to the already implemented Successive Over Relaxation (SOR) algorithm, is introduced. Our tests on various examples have shown that this new method is superior to the SOR method in terms of stability when solving the nonlinear PBE, being able to converge even for problems involving very strong nonlinearity.

Indexed as

AlgorithmsReproducibility of ResultsStatic ElectricityDelPhielectrostaticsfinite difference techniqueNewton methodPoisson-Boltzmann equation

Identifiers

PMID33378855
PMCPMC9883664

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.