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2007

Amiri, S., Sansom, M.S.P. and Biggin, P.C. (2007) Molecular dynamics studies of AChBP with nicotine and carbamylcholine: the role of water in the binding pocket. Prot. Engng. Des. Sel. 20:353-359

Armitage, J.P. (2007) Bacterial Taxis. In: ENCYCLOPEDIA OF LIFE SCIENCES. John Wiley & Sons, Ltd: Chichester http://www.els.net/ [doi:10.1038/npg.els.0006101]

Bond, P.J., Derrick, J.P. and Sansom, M.S.P. (2007) Membrane simulations of OpcA: gating in the loops? Biophys. J. 92: L23-L25

Bond, P.J., Holyoake, J., Ivetac, A., Khalid, S., and Sansom, M.S.P. (2007) Coarse-grained molecular dynamics simulations of membrane proteins and peptides J. Struct. Biol. 157:593-605

Bond, P.J. and Sansom, M.S.P. (2007) Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations. Proc. Natl. Acad. Sci. USA 104:2631-2636

Calzone, L, Thieffry, D., Tyson, J.J. & Novák B (2007): Dynamical modeling of syncytial mitotic cycles in Drosophila embryos. Molecular Systems Biology 3: 131.

Carpenter, T., Khalid, S. and Sansom, M.S.P. (2007) A multidomain outer membrane protein from Pasteurella multocida: modelling and simulations studies on PmOmpA. Biochim. Biophys. Acta 1768:2831-2840.

Castagnetti, S., Novák, B. & Nurse, P. (2007): Microtubules offset growth site from the cell centre in fission yeast, Journal of Cell Science, 120: 2205-2213.

Csikász-Nagy, A., Kapuy, O, Győrffy, B., Tyson, J.J. & Novák, B. (2007): Modeling the Septation Initiation Network (SIN) in fission yeast cells. Current Genetics 51: 245-255.

Csikász-Nagy, A., Novák, B. & Tyson, J.J. (2007): Reverse engineering Models of Cell Cycle Regulation. Cellular Oscillatory Dynamics (eds. M. Maroto & N. Monk), Landes Bioscience, USA.

Fowler, P.W., Balali-Mood, K., Deol, S., Coveney, P.V. and Sansom, M.S.P. (2007) Monotopic enzymes and lipid bilayers: a comparative study. Biochem. 46:3108-3115

Gerken, T.; Girard, C.A.; Tung, Y. L.; Webby, C.J.; Saudek, V.; Hewitson, K.S.; Yeo, G.S.H.; McDonough, M.A.; Cunliffe, S.; McNeill, L.A.; Galvanovskis, J.; Rorsman, P.; Robins, P.; Prieur, X.; Coll, A.P.; Ma, M.; Jovanovic, Z.; Farooqi, I.S.; Sedgwick, B.; Barroso, I.; Lindahl, T.; Ponting, C.P.; Ashcroft, F.M.; O'Rahilly, S.; Schofield, C.J. The obesity-associated FTO gene encodes a 2-oxoglutarate-dependent nucleic acid demethylase Science 318(5855) 1469-1472

Haider, S., Khalid, S., Tucker, S., Ashcroft, F.M., and Sansom, M.S.P. (2007) Molecular dynamics simulations of inwardly rectifying (Kir) potassium channels: a comparative study. Biochem. 46:3643-3652

Haider, S., Tarasov, A., Craig, T., Sansom, M.S.P. and Ashcroft, F.M. (2007) Identification of the PIP2-binding site on Kir6.2 by molecular modelling and functional analysis. EMBO J. 26:3749-3759

Holyoake, J. and Sansom, M.S.P. (2007) Conformational change in an MFS protein: MD simulations of LacY. Structure 15:873-884

Ivetac, A., Campbell, J.D. and Sansom, M.S.P. (2007) Dynamics and function in a bacterial ABC transporter: simulation studies of the BtuCDF system and its components. Biochem. 46:2767-2778

Ivetac, A. and Sansom, M.S.P. (2007) Molecular dynamics simulations and membrane protein structure quality Eur. Biophys. J. 37:403-409

M. D. Johnston, C. M. Edwards, W. F. Bodmer, P. K. Maini and S. J. Chapman, (2007) Mathematical modeling of cell population dynamics in the colonic crypt and in colorectal cancer, Proc. Natl. Acad. Sci. USA, 104, 4008-4013

Kaye, S.L., Sansom, M.S.P. and Biggin, P.C. (2007) In silico mutation of cysteine residues in the ligand-binding domain of an NMDA receptors. Biochem. 46:2136-2145

Khalid, S., Bond, P.J., Carpenter, T., and Sansom, M.S.P. (2007) OmpA: gating and dynamics via molecular dynamics simulations Biochim. Biophys. Acta 1778:1871-1880

Novák, B., Tyson, J.J., Győrffy, B. & Csikász-Nagy, A. (2007): Irreversible cell-cycle transitions are due to systems-level feedback, Nature Cell Biology, 9 (7): 724-728.

Porter,S.L., Wadhams,G.H., and Armitage,J.P. (2007) In vivo and in vitro analysis of the Rhodobacter sphaeroides chemotaxis signaling complexes. Method Enzymol 423: 392-413.

Rapedius, M., Fowler, P.W., Shang, L., Sansom, M.S.P., Tucker, S.J., and Baukrowitz, T. (2007) H-Bonding at the helix-bundle crossing controls gating in Kir potassium channels. Neuron 55:602-614

Rapedius, M., Paynter, J.J., Fowler, P.W., Shang, L., Sansom, M.S.P., Tucker, S.J., and Baukrowitz, T. (2007) Control of pH and PIP2 gating in heteromeric Kir4.1/Kir5.1 channels by H-bonding at the helix bundle crossing Channels (published online 14 Nov 2007).

Sands, Z.A. and Sansom, M.S.P. (2007) How does a voltage-sensor interact with a lipid bilayer? Simulations of a potassium channel domain. Structure 15:235-244

S. Schnell, R. Grima, P.K. Maini, (2007) Multiscale modeling in biology, Amer. Sci., 95, 134-142

Stokeley, D., Bemporad, D., Gavaghan, D. and Sansom, M.S.P. (2007) Conformational flexibility of a lipid-interacting protein: MD simulations of saposin B. Biochem. 46:13573-13580

Tai, K., Baaden, M., Murdock, S., Wu, B., Ng, M.H., Johnston, S., Boardman, R., Fangohr, H., Cox, K., Essex, J.W., and Sansom, M.S.P. (2007) Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid database J. Mol. Graph. Mod. 25:896-902

Tóth, A., Queralt, E., Uhlmann, F. & Novák, B., & (2007): Mitotic exit in two dimensions. Journal of Theoretical Biology 248: 560-573.

Ulmschneider, M.B., Ulmschneider, J.P., Sansom, M.S.P. and Di Nola, A. (2007) A generalized Born implicit membrane representation based on experimental insertion free energies Biophys. J. 92:2338-2349

Wallace, E.J. and Sansom, M.S.P. (2007) Carbon nanotubes/detergent interactions via coarse-grained molecular dynamics NanoLett. 7:1923-1928

Wee, C.L., Bemporad, D., Sands, Z.A., Gavaghan, D. and Sansom, M.S.P. (2007) SGTx1, a Kv channel gating-modifier toxin, binds to the interfacial region of lipid bilayers. Biophys. J. 92:L07-L09

de Wet, H., Rees, M.G., Shimomura, K., Aittoniemi, J., Patch, A.M., Flanagan, S.E., Ellard, S., Hattersley, A.T., Sansom, M.S.P., and Ashcroft, F.M. (2007) Increased ATPase activity produced by mutations at arginine-1380 in nucleotide-binding domain 2 of ABCC8 causes neonatal diabetes. Proc. Natl. Acad. Sci. USA 104:18988-18992

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