High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks

被引：60

作者：

Jonathan S Mason

Andrea Bortolato

Dahlia R Weiss

Francesca Deflorian

Benjamin Tehan

Fiona H Marshall

机构：

[1] Heptares Therapeutics Ltd,CADD/Computational Chemistry

[2] CSO,undefined

[3] Heptares Therapeutics Ltd,undefined

来源：

关键词：

GPCR; StaR; GRID; WaterMap; WaterFLAP; metadynamics; A;

D O I：

10.1186/2193-9616-1-23

中图分类号：

学科分类号：

摘要：

引用

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