Evidence map›Paper›PMID 27804145›Full record

ArticleJournal of computational chemistry2017

PB-AM: An open-source, fully analytical linear poisson-boltzmann solver.

Lisa E Felberg, David H Brookes, Eng-Hui Yap, Elizabeth Jurrus, Nathan A Baker, Teresa Head-Gordon

Abstract read
In one paragraph

Article in Journal of computational chemistry, 2017. 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
  2. Article
  3. Improvements to the APBS biomolecular solvation software suite.Protein science : a publication of the Protein Society · 2018
    Article
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

6 authors.

Lisa E FelbergDepartment of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley, California, 94720.
David H BrookesDepartment of Chemistry, University of California Berkeley, Berkeley, California, 94720.
Eng-Hui YapDepartment of Systems and Computational Biology, Albert Einstein College of Medicine, Bronx, New York, 10461.
Elizabeth JurrusDivision of Computational and Statistical Analytics, Pacific Northwest National Laboratory, Richland, Washington, 99352.
Nathan A BakerAdvanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington, 99352.
Teresa Head-GordonDepartment of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley, California, 94720.

Funding

WHOLE CELL SIMULATIONP41GM104601 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI TAJKHORSHID, EMAD · 2012 to 2021
$19.0M
APBS: NANOSCALE BIOMOLECULAR ELECTROSTATICS SOFTWARER01GM069702 · NIGMS · WASHINGTON UNIVERSITY · PI BAKER, NATHAN A. · 2004 to 2021
$6.2M
Commodity Hardware Acceleration of Popular Modeling Software for Structural BioloR01GM098243 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI SCHULTEN, KLAUS · 2011 to 2014
$1.2M
NIGMS NIH HHS P41 GM104601NIGMS NIH HHS R01 GM069702NIGMS NIH HHS R01 GM098243
6 · The paper itself

Abstract

We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cavities. The PB-AM software package includes the generation of outputs files appropriate for visualization using visual molecular dynamics, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators, and students that are more familiar with the APBS framework. © 2016 Wiley Periodicals, Inc.

Indexed as

Molecular Dynamics SimulationSoftwareAlgorithmsKineticsProteinsStatic ElectricityProteinsBrownian dynamicselectrostaticslinearized Poisson-Boltzmann equation

Identifiers

PMID27804145
PMCPMC5403608

What OpenQuestion holds

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Read underepoch 390

Registered trials

None linked

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.