:: DESCRIPTION
RNAmigos is a Graph Neural Network for predicting RNA small molecule ligands.
::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
Citation:
Oliver C, Mallet V, Gendron RS, Reinharz V, Hamilton WL, Moitessier N, Waldispühl J.
Augmented base pairing networks encode RNA-small molecule binding preferences.
Nucleic Acids Res. 2020 Aug 20;48(14):7690-7699. doi: 10.1093/nar/gkaa583. PMID: 32652015; PMCID: PMC7430648.
:: DESCRIPTION
EleKit allows to measure the complementarity in electrostatics between a docked small molecule and a protein receptor.
::DEVELOPER
Structural Bioinformatics Team
:: SCREENSHOTS
N/A
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
Citation
PLoS One. 2013 Oct 10;8(10):e75762. doi: 10.1371/journal.pone.0075762. eCollection 2013.
Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors.
Voet A1, Berenger F, Zhang KY.
:: DESCRIPTION
PANTHER is a rapid virtual screening method that can evaluate tens of millions of small molecules into selected protein target in 24 hours
::DEVELOPER
Computational Bioscience Laboratory, University of Jyväskylä
:: SCREENSHOTS
N/A
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
Citation
Ultrafast protein structure-based virtual screening with Panther.
Niinivehmas SP, Salokas K, Lätti S, Raunio H, Pentikäinen OT.
J Comput Aided Mol Des. 2015 Sep 25.
:: DESCRIPTION
DGB (Drug Gene Budger) is a web-based and mobile application developed to assist investigators in order to prioritize small molecules that are predicted to maximally influence the expression of their target gene of interest.
::DEVELOPER
:: SCREENSHOTS
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
Citation
Bioinformatics. 2019 Apr 1;35(7):1247-1248. doi: 10.1093/bioinformatics/bty763.
Drug Gene Budger (DGB): an application for ranking drugs to modulate a specific gene based on transcriptomic signatures.
Wang Z, He E, Sani K, Jagodnik KM, Silverstein MC, Ma’ayan A
:: DESCRIPTION
MassiveSAR is a software for analysis of high-throughput screening data and generally for analysis of data sets containing multiple chemical compounds. This software is most suitable for finding related chemical structures and for establishing structure-activity relationships (SAR) within experimentally generated molecule sets or libraries of small molecules.
::DEVELOPER
:: SCREENSHOTS
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
