It is my distinct honour and privilege to welcome you to the Journal of Theoretical and Computational Science.

The Journal of Theoretical and Computational Science aims to spread knowledge and promote discussion through the publication of peer-reviewed, high quality research papers on all topics related to Modern Scientific Techniques. The open access journal is published by Longdom Publishing who hosts open access peer-reviewed journals as well as organizes conferences that hosts the work of researchers in a manner that exemplifies the highest standards in research integrity.

A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule. It is an ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target and to trigger (or block) its biological responses. A pharmacophore model explains how structurally diverse ligands can bind to a common receptor site. Furthermore, pharmacophore models can be used to identify through de novo design or virtual screening novel ligands that will bind to the same receptor.

In modern computational chemistry, pharmacophores are used to define the essential features of one or more molecules with the same biological activity. A database of diverse chemical compounds can then be searched for more molecules which share the same features arranged in the same relative orientation

We always encourage your research works under the scope of our Journal of Theoretical and Computational Science.

With regards,

Angelina

Managing Editor

Journal of Theoretical and Computational Science

WhatsApp: +3225889658