Evidence map›Paper›PMID 23217364›Full record

ReviewQuarterly reviews of biophysics2012

Biomolecular electrostatics and solvation: a computational perspective.

Pengyu Ren, Jaehun Chun, Dennis G Thomas, Michael J Schnieders, Marcelo Marucho, Jiajing Zhang, Nathan A Baker

Abstract readReview
In one paragraph

Review in Quarterly reviews of biophysics, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 71 papers.

0numbers the graph read from it
0cells of the map it votes in
71citing 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

71 citing papers in PubMed.

  1. Article
  2. Review
  3. Article
  4. Article
  5. The Streptococcus phage protein paratox is an intrinsically disordered protein.Protein science : a publication of the Protein Society · 2024
    Article
  6. Article
  7. Article
  8. Review
  9. Article
  10. Article
  11. Review
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.Journal of chemical theory and computation · 2021
    Article

11 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

7 authors.

Pengyu RenDepartment of Biomedical Engineering, The University of Texas at Austin, Austin, TX 78712, USA.
Jaehun Chun
Dennis G Thomas
Michael J Schnieders
Marcelo Marucho
Jiajing Zhang
Nathan A Baker

Funding

VISUALIZATION TOOLS FOR AUTOMATED MOLECULAR MICROSCOPYP41RR008605 · NCRR · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI MCCULLOCH, ANDREW D. · 1994 to 2011
$28.1M
APBS: NANOSCALE BIOMOLECULAR ELECTROSTATICS SOFTWARER01GM069702 · NIGMS · WASHINGTON UNIVERSITY · PI BAKER, NATHAN A. · 2004 to 2021
$6.2M
Analytical Electrostatics: Methods and Biological Applications.R01GM076121 · NIGMS · VIRGINIA POLYTECHNIC INST AND ST UNIV · PI ONUFRIEV, ALEXEY VLAD · 2006 to 2014
$2.6M
Collaborative research: Geometric flow approach to implicit solvation modelingR01GM090208 · NIGMS · MICHIGAN STATE UNIVERSITY · PI WEI, GUOWEI · 2009 to 2014
$1.3M
Computational Drug Discovery with Polarizable Potential Eneergy FunctionR01GM079686 · NIGMS · UNIVERSITY OF TEXAS AT AUSTIN · PI REN, PENGYU · 2007 to 2011
$1.1M
NCRR NIH HHS P41 RR008605NCRR NIH HHS P41 RR0860516NIGMS NIH HHS R01 GM069702NIGMS NIH HHS R01 GM076121NIGMS NIH HHS R01 GM076121-04S1NIGMS NIH HHS R01 GM079686NIGMS NIH HHS R01 GM090208NIGMS NIH HHS R01 GM090208-01
6 · The paper itself

Abstract

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view toward describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g. solvent structure, polarization, ion binding, and non-polar behavior) in order to provide a background to understand the different types of solvation models.

Indexed as

Static ElectricityMacromolecular SubstancesModels, MolecularQuantum TheorySolventsWaterMacromolecular SubstancesSolventsWater

Identifiers

PMID23217364
PMCPMC3533255

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.