Evidence map›Paper›PMID 31909998›Full record

ArticleJournal of chemical information and modeling2020

Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins.

Laura Pedraza-González, María Del Carmen Marín, Alejandro N Jorge, Tyler D Ruck, Xuchun Yang, Alessio Valentini, Massimo Olivucci, Luca De Vico

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Article
  2. Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol.Topics in current chemistry (Cham) · 2022
    Review
  3. Review
  4. Article
  5. Review
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

8 authors.

Laura Pedraza-GonzálezDepartment of Biotechnology, Chemistry and Pharmacy, Università degli Studi di Siena, Via A. Moro 2, I-53100 Siena, Italy.ORCID 0000-0002-9806-236X
María Del Carmen MarínDepartment of Biotechnology, Chemistry and Pharmacy, Università degli Studi di Siena, Via A. Moro 2, I-53100 Siena, Italy.ORCID 0000-0001-6603-1692
Alejandro N JorgeDepartment of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States of America.ORCID 0000-0002-3249-9999
Tyler D RuckDepartment of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States of America.ORCID 0000-0003-4787-9000
Xuchun YangDepartment of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States of America.ORCID 0000-0002-1500-1773
Alessio ValentiniTheoretical Physical Chemistry, Research Unit MolSys, Université de Liège, Allée du 6 Août, 11, 4000 Liège, Belgium.ORCID 0000-0002-0882-9417
Massimo OlivucciDepartment of Biotechnology, Chemistry and Pharmacy, Università degli Studi di Siena, Via A. Moro 2, I-53100 Siena, Italy.ORCID 0000-0002-8247-209X
Luca De VicoDepartment of Biotechnology, Chemistry and Pharmacy, Università degli Studi di Siena, Via A. Moro 2, I-53100 Siena, Italy.ORCID 0000-0002-2821-5711

Funding

Computational Design of Highly Fluorescent RhodopsinsR15GM126627 · NIGMS · BOWLING GREEN STATE UNIVERSITY · PI OLIVUCCI, MASSIMO · 2018 to 2018
$337k
NIGMS NIH HHS R15 GM126627
6 · The paper itself

Abstract

This article introduces Web-ARM, a specialized tool, online available, designed to build quantum mechanical/molecular mechanical models of rhodopsins, a widely spread family of light-responsive proteins. Web-ARM allows the rapidly building of models of rhodopsins with a documented quality and the prediction of trends in UV-vis absorption maximum wavelengths, based on their excitation energies computed at the CASPT2//CASSCF/Amber level of theory. Web-ARM builds upon the recently reported, python-based

Indexed as

Quantum TheoryRhodopsinInternetModels, MolecularRhodopsin

Identifiers

PMID31909998
PMCPMC7101466

What OpenQuestion holds

Textmetadata
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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.