Evidence map›Paper›PMID 37693396›Full record

ArticlebioRxiv : the preprint server for biology2023

CHARMM-GUI Multicomponent Assembler for Modeling and Simulation of Complex Multicomponent Systems.

Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im

Abstract readPreprint
PubMed Full text at PMC Publisher
In one paragraph

Article in bioRxiv : the preprint server for biology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

4 authors.

Nathan R KernDepartment of Computer Science & Engineering, Lehigh University, Bethlehem, PA, USA.
Jumin LeeDepartment of Biological Sciences, Lehigh University, Bethlehem, PA, USA.
Yeol Kyo ChoiDepartment of Biological Sciences, Lehigh University, Bethlehem, PA, USA.
Wonpil ImDepartments of Biological Sciences, Chemistry, Bioengineering, and Computer Science & Engineering, Lehigh University, Bethlehem, PA, USA.

Funding

CHARMM-GUI Development for Biomolecular Modeling and Simulation CommunityR01GM138472 · NIGMS · LEHIGH UNIVERSITY · PI IM, WONPIL · 2020 to 2023
$1.5M
NIGMS NIH HHS R01 GM138472
6 · The paper itself

Abstract

Atomic-scale molecular modeling and simulation are powerful tools for computational biology. However, constructing models with large, densely packed molecules, non-water solvents, or with combinations of multiple biomembranes, polymers, and nanomaterials remains challenging and requires significant time and expertise. Furthermore, existing tools do not support such assemblies under the periodic boundary conditions (PBC) necessary for molecular simulation. Here, we describe

Identifiers

PMID37693396
PMCPMC10491218

What OpenQuestion holds

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LicenceCC BY-NC
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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.