Evidence map›Paper›PMID 42138789›Full record

ArticleJournal of molecular modeling2026

Molecular dynamics study of water anomalies: a comparison of OPC3 and TIP4P/

Vanderson Dos S Nascimento, Rogelma M S Ferreira, Marcia C Barbosa, José Rafael Bordin

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of molecular modeling, 2026. 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.

Vanderson Dos S NascimentoPrograma de Pós-Graduação em Física, Instituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
Rogelma M S FerreiraCentro de Ciências Exatas e Tecnológicas, Universidade Federal do Recôncavo da Bahia, Cruz das Almas, BA, Brazil.
Marcia C BarbosaInstituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
José Rafael BordinDepartamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Pelotas, RS, Brazil. jrbordin@ufpel.edu.br.

Funding

Conselho Nacional de Desenvolvimento Científico e Tecnológico 405479/2023-9Fundação de Amparo à Pesquisa do Estado do Rio Grande do Sul 25/2551-0002609-1
6 · The paper itself

Abstract

contextClassical water models are commonly parameterized to reproduce selected experimental properties, with the dielectric constant often treated as a primary target. However, improving dielectric response within rigid, non-polarizable frameworks can redistribute errors and affect the simultaneous description of structural, thermodynamic, and dynamic properties. In this work, we investigate this trade-off by comparing two widely used rigid water models with distinct parameterization strategies: the four-site TIP4P/

methodsMolecular dynamics simulations were performed using the LAMMPS package. Liquid water was modeled using the rigid, non-polarizable OPC3 and TIP4P/

Indexed as

Molecular dynamics simulationsRigid non-polarizable force fieldsWater anomaliesWater models

Identifiers

PMID42138789
PMCPMC13179192

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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.