SABRE specifications


Unique identifier OMICS_26627
Alternative name Shape-Approach-Based Routines Enhanced
Software type Application/Script
Interface Command line interface
Restrictions to use Academic or non-commercial use
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Adel Hamza

Publication for Shape-Approach-Based Routines Enhanced

SABRE citations


Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold Hopping and Drug Repurposing Strategies

J Chem Inf Model
PMCID: 4210175
PMID: 25229183
DOI: 10.1021/ci5003872

[…] ting docked ligands of the FDA database were ranked using the HWKDockTanimoto scoring function (eq ).Since the screening process of the NCI database and the benchmark test using the 4D fingerprint of SABRE program demonstrated high enrichment factor at 1% of the screened database, we visually inspected the binding mode of the best 30 structures (∼1%) identified within the FDA database. We focused, […]


Novel Mycosin Protease MycP1 Inhibitors Identified by Virtual Screening and 4D Fingerprints

J Chem Inf Model
PMCID: 4010288
PMID: 24628123
DOI: 10.1021/ci500025r

[…] 3D shape-fitting procedure and a robust scoring function (HWZ score). We also improved the VS algorithm using an enhanced molecular shape-density model called Shape Approach Based Routines Enhanced (SABRE), and we applied this algorithm to a number of medically relevant proteins.− SABRE is unique in that it takes advantage of the structural features of known ligands to generate a consensus molecu […]

SABRE institution(s)
University of Kentucky, KY, USA; ChemVS LLC, Lexington, KY, USA; School of life Science and Medicine, Dalian University of Technology, Panjin, China

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