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Hands-On GPU Computing with Python
book

Hands-On GPU Computing with Python

by Avimanyu Bandyopadhyay
May 2019
Intermediate to advanced
452 pages
12h 16m
English
Packt Publishing
Content preview from Hands-On GPU Computing with Python

Medicinal drug – a small molecule

A medicinal drug is a small molecule that can be used to treat a disease. It is also referred to as a ligand. Selective ligands have a tendency to bind to very limited kinds of receptor, whereas non-selective ligands bind to several types of receptors.

A typical ligand in 2D format looks like the following:

Author: Meodipt on Wikipedia in English – translated from en.wikipedia to Shared Server. Translated by Dcirovic, public property, https://commons.wikimedia.org/w/index.php?curid=15883107

This is a selective ligand with the code DE19900637A1 and Ki=124 nM. So, what is a Ki? Let's understand that in the next ...

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Publisher Resources

ISBN: 9781789341072