Citations: Difference between revisions

From DISI
Jump to navigation Jump to search
No edit summary
mNo edit summary
Line 2: Line 2:


== ZINC ==
== ZINC ==
Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82 PDF, DOI. This paper is also a good place to start to understand how ZINC has been assembled, and what it is good for.  
 
To cite ZINC, please reference: Irwin, Sterling, Mysinger, Bolstad and Coleman,
J. Chem. Inf. Model. 2012, accepted for publication.
[http://pubs.acs.org/doi/abs/10.1021/ci3001277 | DOI: 10.1021/ci3001277 ]
To cite the original ZINC paper, please reference: Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82 PDF, DOI. We thank [http://www.nigms.nih.gov/ NIGMS] for financial support (GM71896).


== DOCK 6 ==
== DOCK 6 ==


Lang PT, Brozell SR, Mukherjee S, Pettersen EF, Meng EC, Thomas V, Rizzo RC, Case DA, James TL, Kuntz ID.
DOCK 6: combining techniques to model RNA-small molecule complexes.
RNA. 2009 Jun;15(6):1219-30. Epub 2009 Apr 15.


== DOCK 3.6 ==
Lorber DM, Shoichet BK.,
Hierarchical docking of databases of multiple ligand conformations.
Curr Top Med Chem. 2005;5(8):739-49.


== DOCK 3.5.54 ==
and
 


Lorber DM, Shoichet BK.,
Flexible ligand docking using conformational ensembles.
Protein Sci. 1998 Apr;7(4):938-50.


Other classic citations of work used at this site.
Other classic citations of work used at this site.

Revision as of 21:09, 16 May 2012

How to cite the work of this site.

ZINC

To cite ZINC, please reference: Irwin, Sterling, Mysinger, Bolstad and Coleman, J. Chem. Inf. Model. 2012, accepted for publication. | DOI: 10.1021/ci3001277 To cite the original ZINC paper, please reference: Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82 PDF, DOI. We thank NIGMS for financial support (GM71896).

DOCK 6

Lang PT, Brozell SR, Mukherjee S, Pettersen EF, Meng EC, Thomas V, Rizzo RC, Case DA, James TL, Kuntz ID. DOCK 6: combining techniques to model RNA-small molecule complexes. RNA. 2009 Jun;15(6):1219-30. Epub 2009 Apr 15.

DOCK 3.6

Lorber DM, Shoichet BK., Hierarchical docking of databases of multiple ligand conformations. Curr Top Med Chem. 2005;5(8):739-49.

and

Lorber DM, Shoichet BK., Flexible ligand docking using conformational ensembles. Protein Sci. 1998 Apr;7(4):938-50.

Other classic citations of work used at this site.

AMSOL

Omega

Molinspiration

Corina