ArticleThe journal of physical chemistry letters2011
Development of the CHARMM Force Field for Lipids.
Article in The journal of physical chemistry letters, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 129 papers.
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Who cites it
129 citing papers in PubMed.
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- Development of Transferable Coarse-Grained Lipid Models with Optimized Structural and Elastic Membrane Properties.Journal of chemical theory and computation · 2025Article
- Influence of Membrane Composition on the Passive Membrane Penetration of Industrially Relevant NSO-Heterocycles.International journal of molecular sciences · 2025Article
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- Loss of lipid asymmetry facilitates plasma membrane blebbing by decreasing membrane lipid packing.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Viral fusion proteins of classes II and III recognize and reorganize complex biological membranes.Communications biology · 2025Article
- Structural insights into tecovirimat antiviral activity and poxvirus resistance.Nature microbiology · 2025Article
- Effects of Lipid Headgroups on the Mechanical Properties and In Vitro Cellular Internalization of Liposomes.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- N-terminal fragment shedding contributes to signaling of the full-length adhesion receptor ADGRL3.The Journal of biological chemistry · 2025Article
- Predicting receptor-ligand pairing preferences in plant-microbe interfaces via molecular dynamics and machine learning.Computational and structural biotechnology journal · 2025Article
- Physicochemical Properties of Seed Oil Blends and Their Potential for the Creation of Synthetic Oleosomes with Modulated Polarities.ACS omega · 2024Article
- Membrane Stabilization of Helical Previtamin D Conformers as Possible Enhancement of Vitamin D Photoproduction.The journal of physical chemistry. B · 2024Article
69 more citing papers are in PubMed but not listed here.
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Authors and funding
2 authors.
Funding
Abstract
The development of the CHARMM additive all-atom lipid force field (FF) is traced from the early 1990's to the most recent version (C36) published in 2010. Though simulations with early versions yielded useful results, they failed to reproduce two important quantities: a zero surface tension at the experimental bilayer surface area, and the signature splitting of the deuterium order parameters in the glycerol and upper chain carbons. Systematic optimization of parameters based on high level quantum mechanical data and free energy simulations have resolved these issues, and bilayers with a wide range of lipids can be simulated in tensionless ensembles using C36. Issues associated with other all-atom lipid FFs, success and limitations in the C36 FF and ongoing developments are also discussed.
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Registered trials
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.