Evidence map›Paper›PMID 33236635›Full record

ArticleJournal of chemical theory and computation2020

Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database.

Yongbin Kim, Yen Bui, Ruslan N Tazhigulov, Ksenia B Bravaya, Lyudmila V Slipchenko

Open access · greenAbstract read
In one paragraph

Article in Journal of chemical theory and computation, 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
1.3field-weighted citation impact, top 20% of its field
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, 22 citations in OpenAlex.

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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 at 2 institutions in 1 country.

Yongbin KimDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
Yen BuiDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
Ruslan N TazhigulovDepartment of Chemistry, Boston University, Boston, Massachusetts 02215, United States.ORCID http://orcid.org/0000-0002-0679-3078
Ksenia B BravayaDepartment of Chemistry, Boston University, Boston, Massachusetts 02215, United States.ORCID http://orcid.org/0000-0002-5033-8240
Lyudmila V SlipchenkoDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.ORCID http://orcid.org/0000-0002-0445-2990
Purdue University West Lafayette · USBoston University · US

Funding

Algorithmic improvements in large scale polarizable QM/MM simulationsR43GM126804 · NIGMS · Q-CHEM, INC. · PI EPIFANOVSKY, EVGENY · 2019 to 2019
$150k
NIGMS NIH HHS R43 GM126804
6 · The paper itself

Abstract

An accurate but efficient description of noncovalent interactions is a key to predictive modeling of biological and materials systems. The effective fragment potential (EFP) is an

Indexed as

Density Functional TheoryMolecular Dynamics SimulationAmino AcidsDatabases, FactualHumansAmino Acids

Identifiers

PMID33236635
PMCPMC11606654
OpenAlexW3110123473

What OpenQuestion holds

Textmetadata
LicenceTDM
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.