SwissSimilarity protocols

View SwissSimilarity computational protocol

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SwissSimilarity specifications

Information


Unique identifier OMICS_13723
Name SwissSimilarity
Interface Web user interface
Restrictions to use None
Input data Query molecule by drawing it in an embedded molecular editor or by pasting its SMILES in the dedicated text box, the chemical library to screen, the LBVS method
Output data The molecules most similar to the reference compound, the similarity score, a link to the corresponding entries in their databases of origin
Output format CSV, PDF, JPG
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline Olivier Michielin <>

Publication for SwissSimilarity

SwissSimilarity in pipeline

2017
PMCID: 5421137
PMID: 27848897
DOI: 10.2174/1568026617666161116143440

[…] structure is refined, one can use ucsf chimera [] or pymol (the pymol molecular graphics system, version 1.8 schrödinger, llc) to visualize the structure and use automated screening software such as swisssimilarity [] to identify potential drug candidate that can interact with the protein of interest. such screening approach is greatly enhanced by metabolic and ligand databases such chembl [] […]


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SwissSimilarity in publication

PMCID: 5421137
PMID: 27848897
DOI: 10.2174/1568026617666161116143440

[…] structure is refined, one can use ucsf chimera [] or pymol (the pymol molecular graphics system, version 1.8 schrödinger, llc) to visualize the structure and use automated screening software such as swisssimilarity [] to identify potential drug candidate that can interact with the protein of interest. such screening approach is greatly enhanced by metabolic and ligand databases such chembl [] […]


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SwissSimilarity institution(s)
SIB Swiss Institute of Bioinformatics, Lausanne, Switzerland; Ludwig Institute for Cancer Research, Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland; Department of Oncology, University of Lausanne and Centre Hospitalier Universitaire Vaudois, Lausanne, Switzerland
SwissSimilarity funding source(s)
This work was funded by the SIB Swiss Institute of Bioinformatics, the MelanomX grant from SystemsX.ch - evaluated by the Swiss National Science Foundation - and also a Solidar-Immun funding.

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