Property-based characterization of kinase-like ligand space for library design and virtual screening-Reference-Cited by-同舟云学术

Property-based characterization of kinase-like ligand space for library design and virtual screening

Published:2015 Issue:10 Volume:6 Page:1898-1904
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Bajusz Dávid¹²³⁴⁵,Ferenczy György G.¹²³⁴⁵,Keserű György M.¹²³⁴⁵

Affiliation:

1. Medicinal Chemistry Research Group

2. Research Centre for Natural Sciences

3. Hungarian Academy of Sciences

4. Budapest 1117

5. Hungary

Abstract

A property-based desirability scoring scheme has been developed for kinase-focused library design and ligand-based pre-screening of large compound sets.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/MD/C5MD00253B

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