Usually the distance ranges used to define a pharmacophore will be obtained by examination of a set of ligand-protein structures, or else from a set of ligand conformations.


On Thu, Mar 13, 2014 at 12:15 AM, Vaibhav <vaibhav@rasalsi.com> wrote:

Greetings,

I want to generate pharmacophore query of given set of molecules so for that purpose

How to calculate the lower bound distance and upper bound distance between two atoms?

How to evaluate the distance between pharmacophore groups?

Your help will be appreciated

 

Thanks & Regards,

VAIBHAV KANDALE.
Jr. Bioinformatics Developer
Ph no: 020-65600408 / 9404301685
vaibhav@rasalsi.com

 

RASA Life Science Informatics
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