Evidence map›Paper›PMID 26924848›Full record

ArticleComputer physics communications2016

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

Sandra Vergara-Perez, Marcelo Marucho

Abstract read
In one paragraph

Article in Computer physics communications, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
–field-weighted citation impact
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

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Article
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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

2 authors.

Sandra Vergara-PerezDepartment of Physics and Astronomy, The University of Texas at San Antonio, TX 78249, USA.
Marcelo MaruchoDepartment of Physics and Astronomy, The University of Texas at San Antonio, TX 78249, USA.

Funding

APBS: NANOSCALE BIOMOLECULAR ELECTROSTATICS SOFTWARER01GM069702 · NIGMS · WASHINGTON UNIVERSITY · PI BAKER, NATHAN A. · 2004 to 2021
$6.2M
Actin filaments and microtubulusSC2GM112578 · NIGMS · UNIVERSITY OF TEXAS SAN ANTONIO · PI MARUCHO, MARCELO · 2015 to 2017
$441k
NIGMS NIH HHS R01 GM069702NIGMS NIH HHS SC2 GM112578
6 · The paper itself

Abstract

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules.

Indexed as

biomolecular electrostatic calculationsGraphical user interfaceMatlab softwaremean electrostatic potentialPoisson-Boltzmann equation

Identifiers

PMID26924848
PMCPMC4767531

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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.