Evidence map›Paper›PMID 27819658›Full record

ArticleNature methods2017

CHARMM36m: an improved force field for folded and intrinsically disordered proteins.

Jing Huang, Sarah Rauscher, Grzegorz Nawrocki, Ting Ran, Michael Feig, Bert L de Groot, Helmut Grubmüller, Alexander D MacKerell

Abstract read
In one paragraph

Article in Nature methods, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3,780 papers.

0numbers the graph read from it
0cells of the map it votes in
3,780citing 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

3,780 citing papers in PubMed.

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  13. Automated pharmacophore hypothesis generator for SILCS-Pharm: ph4gen.Journal of computer-aided molecular design · 2026
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3,720 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

8 authors.

Jing HuangDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, USA.
Sarah RauscherDepartment of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany.
Grzegorz NawrockiDepartment of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, USA.
Ting RanDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, USA.
Michael FeigDepartment of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, USA.ORCID 0000-0001-9380-6422
Bert L de GrootDepartment of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany.
Helmut GrubmüllerDepartment of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany.
Alexander D MacKerellDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland, USA.ORCID 0000-0003-4290-182X

Funding

Polarizable Force Field for Proteins and LipidsR01GM072558 · NIGMS · WEILL MEDICAL COLLEGE OF CORNELL UNIV · PI ROUX, BENOIT · 2005 to 2023
$5.1M
Protein structure refinement through effective sampling and scoringR01GM084953 · NIGMS · MICHIGAN STATE UNIVERSITY · PI FEIG, MICHAEL · 2008 to 2017
$2.5M
NIGMS NIH HHS R01 GM072558NIGMS NIH HHS R01 GM084953
6 · The paper itself

Abstract

The all-atom additive CHARMM36 protein force field is widely used in molecular modeling and simulations. We present its refinement, CHARMM36m (http://mackerell.umaryland.edu/charmm_ff.shtml), with improved accuracy in generating polypeptide backbone conformational ensembles for intrinsically disordered peptides and proteins.

Indexed as

Molecular Dynamics SimulationProtein FoldingHumansHydrogen BondingHydrophobic and Hydrophilic InteractionsIntrinsically Disordered ProteinsProtein ConformationIntrinsically Disordered Proteins

Identifiers

PMID27819658
PMCPMC5199616

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Registered trials

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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.