We are pleased to announce the release of Dockamon - PyRx 1.0. This is a work in collaboration with CrescentSilico. Dockamon - PyRx is a structure-based drug design software package containing two integrated software programs: Dockamon and PyRx. Dockamon is software for scoring ligand docked poses using machine learning scoring functions. PyRx is molecular docking and virtual screening software. Major features of Dockamon include:
Ligands Scoring: Score docked poses using a machine learning scoring function including RF-Score V2 and SVM-Score.
Consensus Scoring: Combine scores from more than one scoring function to achieve better predictions.
Protein-Ligand Interactions: Publication quality 2D and 3D interactive visualization of protein-ligand interactions. Customizable interactions options.
Protein and Ligand Preparation: Prepare protein structures and ligands for docking, scoring or other molecular modeling tasks.
Filtering & Substructure Matching: SMARTS and SMILES pattern substructure search, numerical and text-based filtering of the data.
Other Features: Additional functionalities, including chemical spreadsheet capabilities, protein structure management, descriptor calculations, and conformer generation.
Please use the links below to order Dockamon - PyRx. Academic and Pro are the same version. Academic version is discounted for academics and nonprofits users.
