This tutorial presents a cross-docking benchmark experiment. Antibody CR6261 binds to multiple sub- types of influenza antigen hemagglutinin (HA). It has been crystallized with H1 and H5 HA sub-types.

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 ...

The primary strategy for predicting the binding mode of small molecules to their receptors and for performing receptor-based virtual screening studies is protein-ligand docking, which is undoubtedly ...

CONSTRUCTION, OPTIMIZATION AND MOLECULAR DOCKING OF BIOACTIVE SUBSTANCES IN BIOMACROMOLECULES: A PRACTICAL TUTORIAL. In the last two decades, increasing advances in molecular biology and instrumental ...

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 ...

Optibrium, a leading developer of software and AI solutions for molecular design today announced the introduction of a new PyMOL Graphical User Interface (GUI) for Surflex-Dock, its industry-leading ...