Introducing Thetis: a comprehensive suite for event detection in molecular dynamics.

Eleni Picasi, Athanasios Tartas, Vasileios Megalooikonomou, Dimitrios Vlachakis

Abstract read

In one paragraph

Article in Journal of molecular biochemistry, 2018. 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

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

4 authors.

Eleni Picasi *Genetics and Computational Biology Group, Laboratory of Genetics, Department of Biotechnology, Agricultural University of Athens, 75 Iera Odos, 11855, Athens, Greece.

Athanasios Tartas *Genetics and Computational Biology Group, Laboratory of Genetics, Department of Biotechnology, Agricultural University of Athens, 75 Iera Odos, 11855, Athens, Greece.

Vasileios MegalooikonomouComputer Engineering and Informatics Department, School of Engineering, University of Patras, 26500 Patras, Greece.

Dimitrios VlachakisGenetics and Computational Biology Group, Laboratory of Genetics, Department of Biotechnology, Agricultural University of Athens, 75 Iera Odos, 11855, Athens, Greece.

Funding

Large Scale Data Analysis for Brain ImagesR01MH068066 · NIMH · TEMPLE UNIV OF THE COMMONWEALTH · PI MEGALOOIKONOMOU, VASILEIOS · 2004 to 2007

$1.3M

NIMH NIH HHS R01 MH068066

6 · The paper itself

Abstract

A suite of computer programs has been developed under the general name Thetis, for monitoring structural changes during molecular dynamics (MD) simulations on proteins. Conformational analysis includes estimation of structural similarities during the simulation and analysis of the secondary structure with emphasis on helices. In contrast to available freeware dealing with MD snapshots, Thetis can be used on a series of consecutive MD structures, thus allowing a detailed conformational analysis over the time course of the simulation.

Identifiers

PMID30370254

PMCPMC6201276

What OpenQuestion holds

Textmetadata

LicenceTDM

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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.