Evidence map›Paper›PMID 30176213›Full record

ArticleJournal of chemical theory and computation2018

Tinker 8: Software Tools for Molecular Design.

Joshua A Rackers, Zhi Wang, Chao Lu, Marie L Laury, Louis Lagardère, Michael J Schnieders, Jean-Philip Piquemal, Pengyu Ren, Jay W Ponder

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 280 papers.

0numbers the graph read from it
0cells of the map it votes in
280citing 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

280 citing papers in PubMed.

  1. Article
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  4. Short Cationic ACTH-Related Peptides Can Modulate the NaInternational journal of molecular sciences · 2026
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  5. The Newton-X platform for mixed quantum-classical dynamics.Physical chemistry chemical physics : PCCP · 2026
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  7. Ligand-Induced Electronic Response Enables Predictive QM/MM Simulations.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  8. Article
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  10. Graph-Based Deep Learning Models for Predicting pJournal of chemical information and modeling · 2026
    Article
  11. Article
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  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article

220 more citing papers are in PubMed but not listed here.

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

9 authors.

Joshua A RackersProgram in Computational & Molecular Biophysics , Washington University School of Medicine , Saint Louis , Missouri 63110 , United States.
Zhi WangDepartment of Chemistry , Washington University in Saint Louis , Saint Louis , Missouri 63130 , United States.
Chao LuDepartment of Chemistry , Washington University in Saint Louis , Saint Louis , Missouri 63130 , United States.
Marie L LauryDepartment of Chemistry , Washington University in Saint Louis , Saint Louis , Missouri 63130 , United States.
Louis LagardèreLaboratoire de Chimie Théorique , Sorbonne Universités, UPMC Paris 06, UMR 7616 , case courrier 137, 4 place Jussieu , F-75005 Paris , France.
Michael J SchniedersDepartment of Biomedical Engineering , The University of Iowa , Iowa City , Iowa 52242 , United States.
Jean-Philip PiquemalLaboratoire de Chimie Théorique , Sorbonne Universités, UPMC Paris 06, UMR 7616 , case courrier 137, 4 place Jussieu , F-75005 Paris , France.ORCID http://orcid.org/0000-0001-6615-9426
Pengyu RenDepartment of Biomedical Engineering , The University of Texas at Austin , Austin , Texas 78712 , United States.
Jay W PonderProgram in Computational & Molecular Biophysics , Washington University School of Medicine , Saint Louis , Missouri 63110 , United States.ORCID http://orcid.org/0000-0001-5450-9230

Funding

Viral VectorP30CA086862 · NCI · UNIVERSITY OF IOWA · PI Douglas Robert Spitz · 2000 to 2026
$70.0M
DEVELOPMENT OF A NEXT-GENERATION NUCLEIC ACID FORCE FIELDR01GM106137 · NIGMS · WASHINGTON UNIVERSITY · PI JAY PONDER, Pengyu Ren · 2013 to 2026
$3.5M
Specificity and Selectivity in Protein-Ion BindingR01GM114237 · NIGMS · UNIVERSITY OF TEXAS AT AUSTIN · PI PONDER, JAY, REN, PENGYU · 2015 to 2023
$2.6M
NIGMS NIH HHS R01 GM106137NIGMS NIH HHS R01 GM114237
6 · The paper itself

Abstract

The Tinker software, currently released as version 8, is a modular molecular mechanics and dynamics package written primarily in a standard, easily portable dialect of Fortran 95 with OpenMP extensions. It supports a wide variety of force fields, including polarizable models such as the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field. The package runs on Linux, macOS, and Windows systems. In addition to canonical Tinker, there are branches, Tinker-HP and Tinker-OpenMM, designed for use on message passing interface (MPI) parallel distributed memory supercomputers and state-of-the-art graphical processing units (GPUs), respectively. The Tinker suite also includes a tightly integrated Java-based graphical user interface called Force Field Explorer (FFE), which provides molecular visualization capabilities as well as the ability to launch and control Tinker calculations.

Identifiers

PMID30176213
PMCPMC6335969

What OpenQuestion holds

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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.