Maximizing the integration of virtual and experimental screening in hit discovery.

Journal: Expert opinion on drug discovery
Published Date:

Abstract

INTRODUCTION: Experimental and virtual screening contributes to the discovery of more than 50% of clinical candidates. Considering the similar concept and goals, early-phase drug discovery would benefit from the effective integration of these approaches.

Authors

  • Dávid Bajusz
    Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok krt. 2, H-1117 Budapest, Hungary. bajusz.david@ttk.mta.hu.
  • György M Keserű
    Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Budapest, Hungary.