Concepedia

Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents

Ruchi Malik, Pakhuri Mehta, Shubham Srivastava, Bhanwar Singh Choudhary, Manish Sharma

Journal of Biomolecular Structure and Dynamics · 2016 · 19 citations · 30 references

DOI

Concepts

Abstract

values ranging from 0.57 to 0.92, all of them can be considered for further de novo design methods.

References

30

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

, , +13

ChEMBL: a large-scale bioactivity database for drug discovery

Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento et al. · Nucleic Acids Research · 2011 · 4.5K citations · Full text

, , +17

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 2012 · 3.7K citations

, , +16

Epilepsy: new advances

Solomon L. Moshé, Emilio Perucca, Philippe Ryvlin et al. · The Lancet · 2014 · 899 citations

Ligand efficiency indices as guideposts for drug discovery

C ABADZAPATERO · Drug Discovery Today · 2005 · 523 citations

, , +14