This PyMOL plugin is designed to process, filter, and analyze SwissDock docking results. It automates the extraction of ligand binding poses, filters them based on their distance to specific binding ...

This is an intermediate tutorial on a powerful molecular visualizer, PyMOL. We will go through only selected things to prepare high-resolution publication-quality images. Download and install one of ...

Docking of small molecule compounds into the binding site of a receptor and estimating the binding affinity of the complex is an important part of the structure-based drug design process. For a ...

We introduce NRGSuite-Qt, a PyMOL plugin, that provides a comprehensive toolkit for macromolecular cavity detection, virtual screening, small-molecule docking, normal mode analysis, analyses of ...

ABSTRACT: Activation and expansion of drug reactive T cells are key features in drug hypersensitivity reactions. Drugs may interact directly with immune receptors such as the human leukocyte antigens ...