Structure Upload

Please submit your name and email address in the corresponding fields, then you will be redirected to a page for uploading your protein structure. 

When you use the MAPSHB-Ligand model to predict the class of a protein-ligand hydrogen bond, you will be asked to provide some additional information. These include the residue type and residue number of the amino acid, and the name, pKa, pKb, logP and functional group of the ligand involved in the hydrogen bond. If there are more than one protein-ligand hydrogen bonds that you are interested in, please enter the information of them in each field and separate them with a space in between.


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