Core A Software

  TargetHunter: Ligand-based target prediction tools with BioassayGeoMap function integrated
  HTDocking: Structure-based target prediction tools for drug repurpose research.
  BBB Predictor: Machine learning algorithms- AdaBoost and SVM-based tool is designed for predicting the permeability of blood-brain barrier (BBB) for compounds.
  GPU-Accelerated Compound Library Comparison: Modern graphics process units (GPU) –based parallel computing, millions of compound comparison can be accomplished in a few seconds.
  LiCABEDS: LiCABEDS (Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps) is designed to help pharmacologists and medicinal chemists to easily use machine learning techniques for virtual screening and quantitative structure-activity relationship (QSAR) study.
  FANN-QSAR: Fingerprint-based artificial neural network QSAR (FANN-QSAR) method is to effectively predict biological activities of structurally diverse chemical ligands. FANN-QSAR method is a useful approach to predict bioactivities or properties of ligands and to find novel lead compounds for drug discovery research.
  DAKB: Chemogenomics Database for Drug abuse Research is designed for facilitating data-sharing and information exchange among scientific research communities for drug abuse, including genes, proteins, small molecules and signal pathways, with online structure search functions and data analysis tools implemented. 

More technologies for core A can be found in our CCGS center.

Core B Software

  Gaussian Network Model (GNM) calculates equilibrium dynamics of any given biomolecular structure submitted in PDB format.
  ProDy is a free and open-source Python package for protein structural dynamics. It has fast, flexible and powerful file parsers and customizable atom-selections for structural analysis.
  BalestraWeb addresses the need for efficient identification of potential interactions between drugs and targets, using latent factor model of drug-target interactions.
ANM is a simple Normal Mode Analysis (NMA) tool for analysis of vibrational motions in molecular systems. It uses Elastic Network Methodology (ENM) where the system is represented in the form of a network or a graph.

Core C Software

 GenAMapWeb GenAMap: An Visual Analytics Software Platform for eQTL and GWAS Analysis.
 baycis BAYCIS: A generalized, hierarchical HMM for transcription factor binding site discovery in Metazoan genomes.
 logo Structured Input-output Lasso: Detecting SNPs associated with traits considering both genome (input) and transcriptome (output) structures.
 TVNViewer TVNViewer: An interactive visualization tool for exploring networks that change over time or space.