CSM-lig / mCSM-lig
:: DESCRIPTION
CSM-lig is a web server tailored to predict the binding affinity of a protein-small molecule complex based on structural signatures.
mCSM-lig is a structure-guided in silico approach for directly quantifying the effects of single-point missense mutations on affinities of small molecules for proteins.
::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Web browser
:: DOWNLOAD
NO
:: MORE INFORMATION
Citation
Pires DE, Blundell TL, Ascher DB.
mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance.
Sci Rep. 2016 Jul 7;6:29575. doi: 10.1038/srep29575. PMID: 27384129; PMCID: PMC4935856.
CSM-lig: a web server for assessing and comparing protein-small molecule affinities.
Pires DE, Ascher DB.
Nucleic Acids Res. 2016 May 5. pii: gkw390.