Evidence map›Paper›PMID 25237616›Full record

ReviewWorld journal of methodology2012

Protein dynamics via computational microscope.

Anton B Guliaev, Senping Cheng, Bo Hang

Abstract readReview
In one paragraph

Review in World journal of methodology, 2012. 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

3 authors.

Anton B GuliaevAnton B Guliaev, Department of Chemistry and Biochemistry, San Francisco State University, San Francisco, CA 94132, United States.
Senping ChengAnton B Guliaev, Department of Chemistry and Biochemistry, San Francisco State University, San Francisco, CA 94132, United States.
Bo HangAnton B Guliaev, Department of Chemistry and Biochemistry, San Francisco State University, San Francisco, CA 94132, United States.

Funding

Metal inhibition of the base excision repair enzymesSC2GM095448 · NIGMS · SAN FRANCISCO STATE UNIVERSITY · PI GULIAEV, ANTON · 2011 to 2013
$440k
NIGMS NIH HHS SC2 GM095448
6 · The paper itself

Abstract

The purpose of this overview is to provide a concise introduction to the methodology and current advances in molecular dynamics (MD) simulations. MD simulations emerged as a powerful and popular tool to study dynamic behavior of proteins and macromolecule complexes at the atomic resolution. This approach can extend static structural data, such as X-ray crystallography, into dynamic domains with realistic timescales (up to millisecond) and high precision, therefore becoming a veritable computational microscope. This perspective covers current advances and methodology in the simulation of protein folding and drug design as illustrated by several important published examples. Overall, recent progress in the simulation field points to the direction that MD will have significant impact on molecular biology and pharmaceutical science.

Indexed as

Computer simulationsForce fieldMolecular DynamicsProtein foldingX-ray crystallography

Identifiers

PMID25237616
PMCPMC4145563

What OpenQuestion holds

Textmetadata
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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.