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projects:data [2021/07/08 20:53]
wade
projects:data [2021/07/08 20:58] (current)
wade
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 **Supplemental data published before 2011** can be found in [[https://​projects.h-its.org/​mcm/​data/​|our archive]]. ​ **Supplemental data published before 2011** can be found in [[https://​projects.h-its.org/​mcm/​data/​|our archive]]. ​
    
-In addition, ​ our [[http://​www.ubiquitin-resource.org/​|Ubiquitin and Ubiquitin-like Protein Web Resource]] has data from [[https://​doi.org/​10.1016/​j.str.2004.06.017|"​Determinants of Functionality in the Ubiquitin Conjugating Enzyme Family",​ Winn PJ, Religa TL, Battey JND, Banerjee A, Wade RC, Structure (2004) 12(9):​1563-74]]+In addition, ​ our [[http://​www.ubiquitin-resource.org/​|Ubiquitin and Ubiquitin-like Protein Web Resource]] has data from [[https://​doi.org/​10.1016/​j.str.2004.06.017|"​Determinants of Functionality in the Ubiquitin Conjugating Enzyme Family"​]], Winn PJ, Religa TL, Battey JND, Banerjee A, Wade RC, Structure (2004) 12(9):​1563-74. ​
  
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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: ​
  
-In addition, ​ [[https://​kbbox.h-its.org/​toolbox/​|KBbox]] contains sets of data on protein-drug binding kinetics and information on computational methods for studying the kinetics of molecular binding, including tutorials. ​  ​[[https://​doi.org/​10.1021/​acs.jcim.9b00485|"​KBbox:​ A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding",​ Bruce NJ, Ganotra GK, Richter S, Wade RC, J. Chem. Inf. Model. (2019) 59, 3630-3634]].+In addition, ​ [[https://​kbbox.h-its.org/​toolbox/​|KBbox]] contains sets of data on protein-drug binding kinetics and information on computational methods for studying the kinetics of molecular binding, including tutorials. ​  ​[[https://​doi.org/​10.1021/​acs.jcim.9b00485|"​KBbox:​ A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding"​]], Bruce NJ, Ganotra GK, Richter S, Wade RC, J. Chem. Inf. Model. (2019) 59, 3630-3634.
  
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-  *  A workflow for exploring ligand dissociation from a macromolecule.| Daria B Kokh , Bernd Doser , Stefan Richter , Fabian Ormersbach , Xingyi Cheng , Rebecca C Wade (2020), J.Chem.Phys.,​ 153(12), 125102, DOI: 10.1063/​5.0019088 | {{ :​projects:​jcp20-ar-clmd2020-02381.pdf |Accepted manuscript}} ​+  *  ​[[https://​doi.org/​10.1063/​5.0019088 | A workflow for exploring ligand dissociation from a macromolecule]], Daria B Kokh, Bernd Doser, Stefan Richter, Fabian Ormersbach, Xingyi Cheng, Rebecca C Wade (2020), J.Chem.Phys.,​ 153(12), 125102, DOI: 10.1063/​5.0019088 | {{ :​projects:​jcp20-ar-clmd2020-02381.pdf |Accepted manuscript}} ​
  
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-  *  Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.| Berger B, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S (2021), Cell Chem. Biol., ​in press, DOI: 10.1016/​j.chembiol.2021.01.003 | [[http://​dx.doi.org/​10.2139/​ssrn.3656604 |Submitted manuscript]] ​+  *  ​[[https://​doi.org/​10.2139/​ssrn.3656604 | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2]], Berger B, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S (2021), Cell Chem. Biol., ​S2451945621000039, DOI: 10.1016/​j.chembiol.2021.01.003 | [[http://​dx.doi.org/​10.2139/​ssrn.3656604 |Submitted manuscript]] ​
  
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