The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Metadynamics
Open accessAbstract
Metadynamics is a powerful technique for enhancing sampling in molecular dynamics simulations and reconstructing the free‐energy surface as a function of few selected degrees of freedom, often referred to as collective variables (CVs). In metadynamics, sampling is accelerated by a history‐dependent bias potential, which is adaptively constructed in the space of the CVs. Since its first appearance, significant improvements have been made to the original algorithm, leading to an efficient, flexible, and accurate method that has found many successful applications in several domains of science. Here, we discuss first the theory underlying metadynamics and its recent developments. In particular, we focus on the crucial issue of choosing an appropriate set of CVs and on the possible strategies to alleviate this difficulty. Later in the second part, we present a few recent representative applications, which we have classified into three main classes: solid‐state physics, chemical reactions, and biomolecules. © 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 826‐843 DOI: 10.1002/wcms.31 This article is categorized under: Molecular and Statistical Mechanics > Free Energy Methods
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Scalable molecular dynamics with NAMD
Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kalé, L., & Schulten, K. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20289 · Cited by 16,914
Laio, A., & Parrinello, M. (2002) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.202427399 · Cited by 5,626
Self-citationAssessing the Accuracy of Metadynamics
Laio, A., Rodriguez-Fortea, A., Gervasio, F. L., Ceccarelli, M., & Parrinello, M. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp045424k · Cited by 517
Self-citationThe Unfolded Ensemble and Folding Mechanism of the C-Terminal GB1 β-Hairpin
Bonomi, M., Branduardi, D., Gervasio, F. L., & Parrinello, M. (2008) · Journal of the American Chemical Society · doi:10.1021/ja803652f · Cited by 97
Self-citationPiana, S., Laio, A., Marinelli, F., Van Troys, M., Bourry, D., Ampe, C., & Martins, J. C. (2008) · Journal of Molecular Biology · doi:10.1016/j.jmb.2007.10.020 · Cited by 48
Cited by
Unke, O. T., Chmiela, S., Sauceda, H. E., Gastegger, M., Poltavsky, I., Schütt, K. T., Tkatchenko, A., & Müller, K.-R. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c01111 · Cited by 1,647
Enhanced sampling techniques in molecular dynamics simulations of biological systems
Bernardi, R. C., Melo, M. C. R., & Schulten, K. (2015) · Biochimica et Biophysica Acta (BBA) - General Subjects · doi:10.1016/j.bbagen.2014.10.019 · Cited by 757
Tiwary, P., & Parrinello, M. (2013) · Physical Review Letters · doi:10.1103/physrevlett.111.230602 · Cited by 494
Self-citationVariational Approach to Enhanced Sampling and Free Energy Calculations
Valsson, O., & Parrinello, M. (2014) · Physical Review Letters · doi:10.1103/physrevlett.113.090601 · Cited by 336
Self-citationRandom heteropolymers preserve protein function in foreign environments
Panganiban, B., Qiao, B., Jiang, T., DelRe, C., Obadia, M. M., Nguyen, T. D., Smith, A. A. A., Hall, A., Sit, I., Crosby, M. G., et al. (2018) · Science · doi:10.1126/science.aao0335 · Cited by 294
Metadata
- Authors
- Barducci, A., Bonomi, M., & Parrinello, M.
- Venue
- WIREs Computational Molecular Science
- Publisher
- Wiley
- Published
- 2011-02-18
- Volume
- 1
- Issue
- 5
- Pages
- 826-843
- ISSN
- 1759-0876 (ISSN-L)
- 1759-0884
- OpenAlex
- W4255584963
- Cited by
- 1,180
- References
- 5
- FWCI
- 19.51
- Type
- journal article
- Language
- en
- Open access
- bronze
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Metadynamics. https://app.cochat.ai/papers/10.1002/wcms.31
- The paper
- Barducci, A., Bonomi, M., & Parrinello, M. (2011). Metadynamics. WIREs Computational Molecular Science. https://doi.org/10.1002/wcms.31
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
