"This streamlined approach significantly reduces reliance on detailed structural data, thus expanding the scope for sequence-based exploration of protein-ligand interactions." The researchers ...

The ability to alter proteins to refine control over binding affinity and specificity can create tailored therapeutics with reduced side effects, highly sensitive diagnostic tools, efficient ...

EPFL researchers have developed a computational method to explicitly consider the impact of water while designing membrane ...

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 ...

Their environments—water, lipid membranes, or other condensed phases—are critical to their function, shaping their structure and interactions. Yet many modern protein-design methods ...

Researchers have developed a computational method to explicitly consider the impact of water while designing membrane receptors with enhanced stability and signaling, paving the way for novel drug ...