GROMACS: Fast, flexible, and free
Article Properties
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LanguageEnglish
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DOI (url)
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Publication Date2005/10/06
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Indian UGC (journal)
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Refrences158
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Citations12,370
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David Van Der Spoel
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Erik Lindahl
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Berk Hess
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Gerrit Groenhof
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Alan E. Mark
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Herman J. C. Berendsen
Abstract
Cite
Van Der Spoel, David, et al. “GROMACS: Fast, Flexible, and Free”. Journal of Computational Chemistry, vol. 26, no. 16, 2005, pp. 1701-18, https://doi.org/10.1002/jcc.20291.
Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E., & Berendsen, H. J. C. (2005). GROMACS: Fast, flexible, and free. Journal of Computational Chemistry, 26(16), 1701-1718. https://doi.org/10.1002/jcc.20291
Van Der Spoel D, Lindahl E, Hess B, Groenhof G, Mark AE, Berendsen HJC. GROMACS: Fast, flexible, and free. Journal of Computational Chemistry. 2005;26(16):1701-18.
Journal Categories
Science
Chemistry
Science
Chemistry
General
Including alchemy
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|---|---|---|---|---|
| Brute-Force Molecular Dynamics Simulations of Villin Headpiece: Comparison with NMR Parameters | The Journal of Physical Chemistry B |
| 60 | 2003 |
| 10.1103/PhysRevB.66.024116 | Physical Review B | 2002 | ||
Elastic molecular dynamics with self-consistent flexible constraints | The Journal of Chemical Physics |
| 23 | 2000 |
The solution conformations of amino acids from molecular dynamics simulations of Gly-X-Gly peptides: comparison with NMR parameters | Biochemistry and Cell Biology |
| 16 | 1998 |
| Structural Properties of 1,2-Diacyl-sn-glycerol in Bulk and at the Water Interface by Molecular Dynamics | Langmuir |
| 11 | 1995 |
Citations
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|---|---|---|---|---|
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| 2025 | |
A Drop‐By‐Drop Self‐Assembled All‐Natural Hydrogel as a Desensitizer for Rapid and Enduring Management of Dentin Hypersensitivity | Advanced Healthcare Materials |
| 2024 | |
In Silico Discovery of Stapled Peptide Inhibitor Targeting the Nur77‐PPARγ Interaction and Its Anti‐Breast‐Cancer Efficacy | Advanced Science |
| 2024 | |
Non‐Sacrificial Additive Enables a Non‐Passivating Cathode Interface for 4.6 V Li||LiCoO2 Batteries | Advanced Energy Materials |
| 2024 | |
Enhancement of separation performance for ofloxacin enantiomers by a biphasic recognition chiral extraction system | AIChE Journal |
| 2024 |
Citations Analysis
The category
Science: Chemistry 6,478
is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled The Origin of Layer Structure Artifacts in Simulations of Liquid Water and was published in 2005. The most recent citation comes from a 2025 study titled Barrierless reactions of C2 Criegee intermediates with H2SO4 and their implication to oligomers and new particle formation. This article reached its peak citation in 2023, with 1,411 citations. It has been cited in 1,391 different journals, 19% of which are open access. Among related journals, the The Journal of Physical Chemistry B cited this research the most, with 824 citations. The chart below illustrates the annual citation trends for this article.