Protein structure modeling methods, such as homology modeling, protein-protein docking, and molecular dynamics (MD), have become important tools for drug target discovery. For routine tasks, such as building a single domain model from a closely homologous template, publicly available tools are sufficient. However, in the case of protein docking, even highly homologous complexes require sophisticated tools for model construction and refinement. The goal of this project is to make such sophisticated tools user friendly, even in the hands of non-experts. To achieve this goal we continuously collaborate with experimentalists in order to improve the accuracy and usability of our docking pipeline.
|NMR Signal Assignment Module||Under Construction||Package Documentation|
|Restraints Generator Module||Release 1||Package Documentation|
|Docking Module||Release 1||Package Documentation|
|Clustering Module||Release 1||Package Documentation|
|Filtering Module||Release 1||Package Documentation|
|MD Calculation Module||Release 1||Package Documentation|
|Scoring Module||Release 1||Package Documentation|
|Supramolecule Extension Module||Under Construction||Package Documentation|
|Minimization Module||Release 1||Package Documentation|
|We are also building a Docking Pipeline tool and the beta version is already up and running. It can be accesed here.|
|We present here an Artificial Neural Network (ANN) using novel fusion features for protein-RNA binding sites prediction, which is intended to serve as a better scoring function for protein-RNA docking MD... more|
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