Evidence map›Paper›PMID 36117287›Full record

ArticleThe journal of physical chemistry. B2022

CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs.

Kye Won Wang, Jumin Lee, Han Zhang, Donghyuk Suh, Wonpil Im

Abstract read
In one paragraph

Article in The journal of physical chemistry. B, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

  1. Article
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  6. Review
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  8. Article
  9. Biomolecular Electrostatic Phenomena: An Evergreen Field.The journal of physical chemistry. B · 2023
    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

5 authors.

Kye Won WangDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Jumin LeeDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.ORCID 0000-0002-1008-0118
Han ZhangDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.ORCID 0000-0002-5608-9185
Donghyuk SuhDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.ORCID 0000-0002-7478-4579
Wonpil ImDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States.ORCID 0000-0001-5642-6041

Funding

CHARMM-GUI Development for Biomolecular Modeling and Simulation CommunityR01GM138472 · NIGMS · LEHIGH UNIVERSITY · PI IM, WONPIL · 2020 to 2023
$1.5M
Development of Computational Toolset for Structural Systems PharmacologyR01GM126140 · NIGMS · LEHIGH UNIVERSITY · PI IM, WONPIL · 2018 to 2020
$1.1M
NIGMS NIH HHS R01 GM126140NIGMS NIH HHS R01 GM138472
6 · The paper itself

Abstract

Implicit solvent models are widely used because they are advantageous to speed up simulations by drastically decreasing the number of solvent degrees of freedom, which allows one to achieve long simulation time scales for large system sizes. CHARMM-GUI, a web-based platform, has been developed to support the setup of complex multicomponent molecular systems and prepare input files. This study describes an

Indexed as

Molecular Dynamics SimulationProteinsDNALigandsPolysaccharidesRNASolventsDNALigandsPolysaccharidesProteinsRNASolvents

Identifiers

PMID36117287
PMCPMC9551160

What OpenQuestion holds

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Registered trials

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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.