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projects:data [2016/03/09 14:48]
wade [MCM supplemental data]
projects:data [2018/03/12 13:59] (current)
richter [MCM supplemental data]
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 **Supplemental data relating to papers published in or after 2011** can be found below: ​ **Supplemental data relating to papers published in or after 2011** can be found below: ​
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 +  *  [[http://​onlinelibrary.wiley.com/​doi/​10.1002/​prot.25167/​abstract|Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties.]] Rudi Tong, Rebecca C. Wade and Neil J. Bruce (2016), Proteins: Struct. Func. Bioinf., 84, 1844-1858. DOI: 10.1002/​prot.25167
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 +^  Structures ​  ​^ ​   Grids    ^
 +|{{ :​projects:​modelledisoformstructuresnorefine.tgz |Unrefined modelled AC isoforms for small molecule analysis}} |{{ :​projects:​electrostaticgridsnorefine.tgz |Electrostatic potential grids from unrefined structures, UHBD format}} |
 +|{{ :​projects:​modelledisoformstructures.tgz |Modelled AC isoforms}} ​ |{{ :​projects:​electrostaticgrids.tgz |Electrostatic potential grids, UHBD format}} |
  
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   * [[http://​pubs.acs.org/​doi/​abs/​10.1021/​jp212532h | Atomic Detail Brownian Dynamics Simulations of Concentrated Protein Solutions with a Mean Field Treatment of Hydrodynamic Interactions]], ​ Mereghetti P, Wade, RC, J. Phys. Chem. B. (2012) 116:​8523-8533. doi: 10.1021/​jp212532h : {{:​projects:​hemoglobin_0.11_136frames.zip| Movie of diffusion of a solution of hemoglobin tetramers at a 0.11 volume fraction simulated with the SDA software (zipped (zip) file)}}.   * [[http://​pubs.acs.org/​doi/​abs/​10.1021/​jp212532h | Atomic Detail Brownian Dynamics Simulations of Concentrated Protein Solutions with a Mean Field Treatment of Hydrodynamic Interactions]], ​ Mereghetti P, Wade, RC, J. Phys. Chem. B. (2012) 116:​8523-8533. doi: 10.1021/​jp212532h : {{:​projects:​hemoglobin_0.11_136frames.zip| Movie of diffusion of a solution of hemoglobin tetramers at a 0.11 volume fraction simulated with the SDA software (zipped (zip) file)}}.
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 +  * [[http://​pubs.rsc.org/​en/​Content/​ArticleLanding/​2016/​CP/​C6CP0020 | Three steps to gold: mechanism of protein adsorption revealed by Brownian and molecular dynamics simulations]], ​ Ozboyaci M, Kokh DB, Wade, RC, Phys. Chem. Chem. Phys. (2016) 18:​10191-10200. doi: 10.1039/​C6CP00201C : {{:​projects:​blip-au_2orientations_perspective.zip| Movie showing adsorption of beta-lactamase inhibitor protein (BLIP) onto an Au(111) surface in molecular dynamics simulations starting from two encounter complexes generated by Brownian dynamics simulation. (zipped (zip) file)}}.
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