ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2008
Application of solid-state NMR restraint potentials in membrane protein modeling.
Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.The journal of physical chemistry. B · 2024Review
- Improving Geometric Validation Metrics and Ensuring Consistency with Experimental Data through TrioSA: An NMR Refinement Protocol.International journal of molecular sciences · 2023Article
- CHARMM-GUI 10 years for biomolecular modeling and simulation.Journal of computational chemistry · 2017Review
- Solid-State NMR-Restrained Ensemble Dynamics of a Membrane Protein in Explicit Membranes.Biophysical journal · 2015Article
- NMR-based simulation studies of Pf1 coat protein in explicit membranes.Biophysical journal · 2013Article
- Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme.The journal of physical chemistry. B · 2013Article
- Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron-electron resonance spectroscopy.The journal of physical chemistry. B · 2013Article
- On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method.The Journal of chemical physics · 2013Article
- Solid-state NMR ensemble dynamics as a mediator between experiment and simulation.Biophysical journal · 2011Article
- Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables.Biophysical journal · 2011Article
- Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR.European biophysics journal : EBJ · 2011Article
- Oligomerization state and supramolecular structure of the HIV-1 Vpu protein transmembrane segment in phospholipid bilayers.Protein science : a publication of the Protein Society · 2010Article
- Structural characterization of two pore-forming peptides: consequences of introducing a C-terminal tryptophan.Proteins · 2010Article
- Recent Advances in the Application of Solution NMR Spectroscopy to Multi-Span Integral Membrane Proteins.Progress in nuclear magnetic resonance spectroscopy · 2009Article
- Comparative molecular dynamics simulation studies of protegrin-1 monomer and dimer in two different lipid bilayers.Biophysical journal · 2009Article
- A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints.Journal of biomolecular NMR · 2009Article
- Structure and topology of monomeric phospholamban in lipid membranes determined by a hybrid solution and solid-state NMR approach.Proceedings of the National Academy of Sciences of the United States of America · 2009Article
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Authors and funding
4 authors.
Funding
Abstract
We have developed a set of orientational restraint potentials for solid-state NMR observables including (15)N chemical shift and (15)N-(1)H dipolar coupling. Torsion angle molecular dynamics simulations with available experimental (15)N chemical shift and (15)N-(1)H dipolar coupling as target values have been performed to determine orientational information of four membrane proteins and to model the structures of some of these systems in oligomer states. The results suggest that incorporation of the orientational restraint potentials into molecular dynamics provides an efficient means to the determination of structures that optimally satisfy the experimental observables without an extensive geometrical search.
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