Dokholyan Lab | University of Virginia

ATLAS

Interactive atlas-style analysis portal for lab datasets and translational exploration workflows.

Natural-compound analysis environment for screening phytochemicals against biological targets and pathways.

Compound analysis and network-driven discovery interface for target, pathway, and small-molecule exploration.

Rapidly minimizes steric clashes in protein structures using short discrete molecular dynamics simulations.

Drug target identification server based on protein dynamics and allosteric network analysis.

Searches the Protein Data Bank for matching binding-site substructures and functional motifs.

Predicts mutation-induced protein stability changes and supports structure refinement for stability estimation.

Updated ERIS environment for mutation scanning, stability analysis, and structure-driven engineering workflows.

Predicts hinge regions involved in protein oligomerization and domain swapping.

Human GPCRome atlas for receptor classification, structures, ligand pharmacology, expression, and disease associations.

Interactive RNA folding portal for coarse-grained discrete molecular dynamics simulations.

Flexible docking platform for receptor-ligand pose prediction with support for induced-fit hypotheses.

Electrostatic and structural analysis workflow for identifying mechanistic hotspots in macromolecules.

Data-rich portal for psychedelic therapeutics, compounds, targets, and pathway exploration.

Predicts potential split sites in proteins for ligand- or light-controlled reassembly designs.

Molecular prediction platform for structure-driven analysis and experimental prioritization workflows.