ArticleGlycobiology2021
Development of Martini 2.2 parameters for N-glycans: a case study of the HIV-1 Env glycoprotein dynamics.
Article in Glycobiology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Coarse-Grained Model of the Sodium Dodecyl Sulfate Anionic Surfactant Based on the MDPD-Martini Force Field.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- A Coarse-Grained MARTINI Model for Mucins.Journal of chemical theory and computation · 2026Article
- Structural and immunological characterization of the H3 influenza hemagglutinin during antigenic drift.Nature communications · 2025Article
- Systematic Approach to Parametrization of Disaccharides for the Martini 3 Coarse-Grained Force Field.Journal of chemical information and modeling · 2025Article
- Computational analysis of the structural-functional dynamics of a Co-receptor proteoglycan.Frontiers in molecular biosciences · 2025Article
- Microsecond dynamics control the HIV-1 Envelope conformation.Science advances · 2024Article
- In Silico Assessment of the Lipid Fingerprint Signature of ATP2, the Essential P4-ATPase of Malaria Parasites.Membranes · 2022Article
- HIV-1 Envelope Conformation, Allostery, and Dynamics.Viruses · 2021Review
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
N-linked glycans are ubiquitous in nature and play key roles in biology. For example, glycosylation of pathogenic proteins is a common immune evasive mechanism, hampering the development of successful vaccines. Due to their chemical variability and complex dynamics, an accurate molecular understanding of glycans is still limited by the lack of effective resolution of current experimental approaches. Here, we have developed and implemented a reductive model based on the popular Martini 2.2 coarse-grained force field for the computational study of N-glycosylation. We used the HIV-1 Env as a direct applied example of a highly glycosylated protein. Our results indicate that the model not only reproduces many observables in very good agreement with a fully atomistic force field but also can be extended to study large amount of glycosylation variants, a fundamental property that can aid in the development of drugs and vaccines.
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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 Socratic graph.