Evidence map›Paper›PMID 27992228›Full record

ArticleThe journal of physical chemistry. B2017

Nonpolar Solvation Free Energy from Proximal Distribution Functions.

Shu-Ching Ou, Justin A Drake, B Montgomery Pettitt

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry. B, 2017. 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. Article
  3. Article
  4. Energetics of cosolvent effect on peptide aggregation.Biophysics and physicobiology · 2019
    Review
  5. Hexahydrated MgBiophysical journal · 2018
    Article
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

3 authors.

Shu-Ching OuSealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch , 301 University Blvd, Galveston, Texas 77555-0304, United States.
Justin A DrakeSealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch , 301 University Blvd, Galveston, Texas 77555-0304, United States.
B Montgomery PettittSealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch , 301 University Blvd, Galveston, Texas 77555-0304, United States.ORCID 0000-0003-4902-3046

Funding

Theory of Proteins and Peptides in SolutionR01GM037657 · NIGMS · UNIVERSITY OF TEXAS MED BR GALVESTON · PI PETTITT, BERNARD MONTGOMERY · 1988 to 2023
$5.5M
NIGMS NIH HHS R01 GM037657
6 · The paper itself

Abstract

Using precomputed near neighbor or proximal distribution functions (pDFs) that approximate solvent density about atoms in a chemically bonded context one can estimate the solvation structures around complex solutes and the corresponding solute-solvent energetics. In this contribution, we extend this technique to calculate the solvation free energies (ΔG) of a variety of solutes. In particular we use pDFs computed for small peptide molecules to estimate ΔG for larger peptide systems. We separately compute the non polar (ΔG

Indexed as

AlgorithmsThermodynamics1-PropanolButanesPeptidesSolubilitySolventsStatic Electricity1-PropanolbutaneButanesPeptidespolyalaninepolyglycineSolvents

Identifiers

PMID27992228
PMCPMC5398929

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.