Difference between revisions of "Free Energy References"

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This is a list of free energy categories.  Select the category, and add any references. You will need to log in (create an account) to be able to add to this page, but otherwise it is publicly editable.  
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This is a list of free energy categories.  Select the category, and add any references. You will need to log in (create an account) to be able to add to this page, but otherwise it is publicly editable.  Note: this database is in the process of being revised, so not many references are currently here.  Check back in a week or two.
  
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To add a reference, and list authors, titles, and journal information. Papers that have not yet appeared in print editions are fine, as long as you can provide a link to an online version of the article through the journal site. As far as possible please follow the formatting of existing references.
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Please [[Proper referencing | read this ]] for information on how to properly add a reference, or before editing references.   
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To name the paper uniquely, name it {FirstAuthorName}{JournalAbbreviation}{Year}{letter} where the 'letter' is a,b,c, and so forth, noting duplicates.  So M. R. Shirts and V. S. Pande, J. Chem. Phys. from 2005 becomes MRShirtsJChemPhys2005a.
 
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If you are not sure of the journal abbreviation, you can look it up [http://apps.isiknowledge.com/WoS/help/J_abrvjt.html here]
 
  
 
[[:Category:Free Energy Reviews]]
 
[[:Category:Free Energy Reviews]]
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[[:Category:Binding Free Energy Calculations]]
 
[[:Category:Binding Free Energy Calculations]]
  
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[[:Category:Papers By Author]]
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[[:Category:Methods Development]]
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[[Papers by Year]]
 
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== 2006 ==
 
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* [[DLMobleyJChemPhys2006a]] David L. Mobley, John D. Chodera, and Ken A. Dill. "On the use of orientational restraints and symmetry corrections in alchemical free energy calculations". J. Chem. Phys. 125, 084902 (2006). [http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000125000008084902000001&idtype=cvips&gifs=yes Abstract].
 
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* [[GJayachandranJChemPhys2006a]] Guha Jayachandra, Michael R. Shirts, Sanghyun Park and Vijay S. Pande. "Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics". J. Chem. Phys. 125, 084901 (2006). [http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000125000008084901000001&idtype=cvips&gifs=yes Abstract].
 
  
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== 2005 ==
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[[:Category:Applications]]
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* Philip W. Fowler, Shantenu Jha and Peter V. Coveney. "Grid-based steered thermodynamic integration accelerates the calculation of binding free energies". Phil. Trans. R. Soc. A (2005) 363, 1999–2015. [http://dx.doi.org/10.1098/rsta.2005.1625 Abstract]
 
  
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* Christophe Chipot, Xavier Rozanska, and Surjit B. Dixit. "Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein". Journal of Computer-Aided Molecular Design (2005) 19: 765–770. [http://dx.doi.org/10.1007/s10822-005-9021-3 Abstract]
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[[:Category:Papers by Year]]

Latest revision as of 00:25, 29 October 2007

This is a list of free energy categories. Select the category, and add any references. You will need to log in (create an account) to be able to add to this page, but otherwise it is publicly editable. Note: this database is in the process of being revised, so not many references are currently here. Check back in a week or two.

Please read this for information on how to properly add a reference, or before editing references.

Category:Free Energy Reviews

Category:Solvation Free Energy Calculations

Category:Binding Free Energy Calculations

Category:Methods Development

Category:Applications

Category:Papers by Year

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