Difference between revisions of "DGHYD"
|Line 41:||Line 41:|
Latest revision as of 16:47, 6 February 2019
The following files contain small molecules in MOL2 format consisting of 460 neutral compounds, 42 polyatomic ions, and 11 monatomic ions as described in Rizzo et al. JCTC 2006 2 (1), 128-139 
Note: The experimental values for several compounds have been corrected since publication and have been updated in the MOL2 file headers and Supplementary Information.
Please contact a current member of the lab if you face any problems. Contact information can be found here.