Search Results - "Sansom, Mark"

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective by Lynch, Charlotte I, Rao, Shanlin, Sansom, Mark S. P

“…This Review explores the dynamic behavior of water within nanopores and biological channels in lipid bilayer membranes. We focus on molecular simulation…”
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Computational Modeling of Realistic Cell Membranes by Marrink, Siewert J, Corradi, Valentina, Souza, Paulo C.T, Ingólfsson, Helgi I, Tieleman, D. Peter, Sansom, Mark S.P

“…Cell membranes contain a large variety of lipid types and are crowded with proteins, endowing them with the plasticity needed to fulfill their key roles in…”
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The MemProtMD database: a resource for membrane-embedded protein structures and their lipid interactions by Newport, Thomas D, Sansom, Mark S P, Stansfeld, Phillip J

“…Abstract Integral membrane proteins fulfil important roles in many crucial biological processes, including cell signalling, molecular transport and…”
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Lipid-Dependent Regulation of Ion Channels and G Protein-Coupled Receptors: Insights from Structures and Simulations by Duncan, Anna L, Song, Wanling, Sansom, Mark S.P

“…Ion channels and G protein-coupled receptors (GPCRs) are regulated by lipids in their membrane environment. Structural studies combined with biophysical and…”
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Organization and Dynamics of Receptor Proteins in a Plasma Membrane by Koldsø, Heidi, Sansom, Mark S. P

“…The interactions of membrane proteins are influenced by their lipid environment, with key lipid species able to regulate membrane protein function. Advances in…”
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Lipid clustering correlates with membrane curvature as revealed by molecular simulations of complex lipid bilayers by Koldsø, Heidi, Shorthouse, David, Hélie, Jean, Sansom, Mark S P

“…Cell membranes are complex multicomponent systems, which are highly heterogeneous in the lipid distribution and composition. To date, most molecular…”
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The Role of the Membrane in the Structure and Biophysical Robustness of the Dengue Virion Envelope by Reddy, Tyler, Sansom, Mark S.P.

“…The dengue virion is surrounded by an envelope of membrane proteins surrounding a lipid bilayer. We have combined the cryoelectron microscopy structures of the…”
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Lipid interaction sites on channels, transporters and receptors: Recent insights from molecular dynamics simulations by Hedger, George, Sansom, Mark S.P.

“…Lipid molecules are able to selectively interact with specific sites on integral membrane proteins, and modulate their structure and function. Identification…”
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Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT3A receptor by Basak, Sandip, Gicheru, Yvonne, Rao, Shanlin, Sansom, Mark S. P., Chakrapani, Sudha

“…The 5-HT 3A serotonin receptor 1 , a cationic pentameric ligand-gated ion channel (pLGIC), is the clinical target for management of nausea and vomiting…”
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Reduced lateral mobility of lipids and proteins in crowded membranes by Goose, Joseph E, Sansom, Mark S P

“…Coarse-grained molecular dynamics simulations of the E. coli outer membrane proteins FhuA, LamB, NanC, OmpA and OmpF in a POPE/POPG (3:1) bilayer were…”
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Hydrophobic Gating in Ion Channels by Aryal, Prafulla, Sansom, Mark S.P., Tucker, Stephen J.

“…Biological ion channels are nanoscale transmembrane pores. When water and ions are enclosed within the narrow confines of a sub-nanometer hydrophobic pore,…”
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PtdIns(4,5)P2 stabilizes active states of GPCRs and enhances selectivity of G-protein coupling by Yen, Hsin-Yung, Hoi, Kin Kuan, Liko, Idlir, Hedger, George, Horrell, Michael R., Song, Wanling, Wu, Di, Heine, Philipp, Warne, Tony, Lee, Yang, Carpenter, Byron, Plückthun, Andreas, Tate, Christopher G., Sansom, Mark S. P., Robinson, Carol V.

“…G-protein-coupled receptors (GPCRs) are involved in many physiological processes and are therefore key drug targets 1 . Although detailed structural…”
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Biomimetic Phospholipid Membrane Organization on Graphene and Graphene Oxide Surfaces: A Molecular Dynamics Simulation Study by Willems, Nathalie, Urtizberea, Ainhoa, Verre, Andrea F, Iliut, Maria, Lelimousin, Mickael, Hirtz, Michael, Vijayaraghavan, Aravind, Sansom, Mark S. P

“…Supported phospholipid membrane patches stabilized on graphene surfaces have shown potential in sensor device functionalization, including biosensors and…”
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Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs by Kumar, Arvind, Basak, Sandip, Rao, Shanlin, Gicheru, Yvonne, Mayer, Megan L., Sansom, Mark S. P., Chakrapani, Sudha

“…Glycinergic synapses play a central role in motor control and pain processing in the central nervous system. Glycine receptors (GlyRs) are key players in…”
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Structural basis of Smoothened regulation by its extracellular domains by Byrne, Eamon F. X., Sircar, Ria, Miller, Paul S., Hedger, George, Luchetti, Giovanni, Nachtergaele, Sigrid, Tully, Mark D., Mydock-McGrane, Laurel, Covey, Douglas F., Rambo, Robert P., Sansom, Mark S. P., Newstead, Simon, Rohatgi, Rajat, Siebold, Christian

“…Structural studies show that the activity of the G-protein-coupled receptor Smoothened is modulated by ligand-regulated interactions between its extracellular…”
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From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations by Stansfeld, Phillip J, Sansom, Mark S.P

“…Coarse-grained molecular dynamics provides a means for simulating the assembly and the interactions of membrane protein/lipid complexes at a reduced level of…”
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Induced Polarization in Molecular Dynamics Simulations of the 5-HT3 Receptor Channel by Klesse, Gianni, Rao, Shanlin, Tucker, Stephen J, Sansom, Mark S.P

“…Ion channel proteins form water-filled nanoscale pores within lipid bilayers, and their properties are dependent on the complex behavior of water in a…”
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Molecular Basis of Alternating Access Membrane Transport by the Sodium-Hydantoin Transporter Mhp1 by Shimamura, Tatsuro, Weyand, Simone, Beckstein, Oliver, Rutherford, Nicholas G, Hadden, Jonathan M, Sharples, David, Sansom, Mark S.P, Iwata, So, Henderson, Peter J.F, Cameron, Alexander D

“…The structure of the sodium-benzylhydantoin transport protein Mhp1 from Microbacterium liquefaciens comprises a five-helix inverted repeat, which is widespread…”
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CHAP: A Versatile Tool for the Structural and Functional Annotation of Ion Channel Pores by Klesse, Gianni, Rao, Shanlin, Sansom, Mark S.P., Tucker, Stephen J.

“…The control of ion channel permeation requires the modulation of energetic barriers or “gates” within their pores. However, such barriers are often simply…”
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PyLipID: A Python Package for Analysis of Protein–Lipid Interactions from Molecular Dynamics Simulations by Song, Wanling, Corey, Robin A, Ansell, T. Bertie, Cassidy, C. Keith, Horrell, Michael R, Duncan, Anna L, Stansfeld, Phillip J, Sansom, Mark S. P

“…Lipids play important modulatory and structural roles for membrane proteins. Molecular dynamics simulations are frequently used to provide insights into the…”
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