The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment
Abstract
Molecular dynamics simulations of fully hydrated pure bilayers of four widely studied phospholipids, 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), and 2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine (POPC) using a recent revision of the GROMOS96 force field are reported. It is shown that the force field reproduces the structure and the hydration of bilayers formed by each of the four lipids with high accuracy. Specifically, the solvation and the orientation of the dipole of the phosphocholine headgroup and of the ester carbonyls show that the structure of the primary hydration shell in the simulations closely matches experimental findings. This work highlights the need to reproduce a broad range of properties beyond the area per lipid, which is poorly defined experimentally, and to consider the effect of system size and sampling times well beyond those commonly used.
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
Hydration forces between phospholipid bilayers
Rand, R. P., & Parsegian, V. A. (1989) · Biochimica et Biophysica Acta (BBA) - Reviews on Biomembranes · doi:10.1016/0304-4157(89)90010-5 · Cited by 1,125
INTERACTIONS BETWEEN NEUTRAL PHOSPHOLIPID BILAYER MEMBRANES
LIS, L. J., MCALISTER, M., FULLER, N., RAND, R. P., & PARSEGIAN, V. A. (1982) · Biophysical Journal · doi:10.1016/s0006-3495(21)00385-4 · Cited by 758
Nagle, J. F., Zhang, R., Tristram-Nagle, S., Sun, W., Petrache, H. I., & Suter, R. M. (1996) · Biophysical Journal · doi:10.1016/s0006-3495(96)79701-1 · Cited by 472
Lipids Out of Equilibrium: Energetics of Desorption and Pore Mediated Flip-Flop
Tieleman, D. P., & Marrink, S.-J. (2006) · Journal of the American Chemical Society · doi:10.1021/ja0624321 · Cited by 230
Cited by
Teixobactin kills bacteria by a two-pronged attack on the cell envelope
Shukla, R., Lavore, F., Maity, S., Derks, M. G. N., Jones, C. R., Vermeulen, B. J. A., Melcrová, A., Morris, M. A., Becker, L. M., Wang, X., et al. (2022) · Nature · doi:10.1038/s41586-022-05019-y · Cited by 201
Can Nanoplastics Alter Cell Membranes?
Hollóczki, O., & Gehrke, S. (2020) · ChemPhysChem · doi:10.1002/cphc.201900481 · Cited by 144
Martins, W. K., Costa, É. T., Cruz, M. C., Stolf, B. S., Miotto, R., Cordeiro, R. M., & Baptista, M. S. (2015) · Scientific Reports · doi:10.1038/srep12425 · Cited by 32
Metadata
- Authors
- Poger, D., & Mark, A. E.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-11-23
- Volume
- 6
- Issue
- 1
- Pages
- 325-336
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W2035939859
- Cited by
- 306
- References
- 4
- FWCI
- 4.92
- Type
- journal article
- Language
- en
- Open access
- closed
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
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.
