â—Ź LIVE
Warhead Discovery
WarheadHunter
Hunt small-molecule warheads, binding sites, and attachment vectors for any target across protein domains.
Open tool LIVE COMPUTATIONAL ECOSYSTEM
PROTAC Builder Ecosystem
An Integrated Computational Platform for Structure-Guided Degrader Design and Evaluation
All modules are deployed and available online.
Explore the live toolsConnected workflow
From target context to candidate prioritization
- 01Protein
Target - 02Warhead
Discovery - 03E3 Ligase
Selection - 04PROTAC
Construction - 05Ternary
Modeling - 06Dynamic
Refinement - 07Candidate
Prioritization
↺ Structural and dynamic evaluation can inform redesigned warheads, E3 choices, attachment vectors, and linkers.
Deployed modules
Choose an entry point
â—Ź LIVE
Viral Warhead Discovery
V-LiSEMOD
Explore viral protein targets, ligandable sites, and small-molecule starting points for viral degrader-design workflows.
Open toolâ—Ź LIVE
E3 Ligase Selection
E3-Ligandalyzer
Evaluate E3 ligase systems, ligand compatibility, exit vectors, and structural geometry.
Open toolâ—Ź LIVE
PROTAC Construction
PROTAC Builder
Construct degrader candidates from target warheads, E3 ligands, attachment sites, and linker designs.
Open toolâ—Ź LIVE
Ternary Complex Evaluation
Ternary Complex Modeling
Review downstream target–PROTAC–E3 assembly workflows for structural compatibility and productive geometry.
Open toolâ—‹ LINK PENDING
Dynamic Refinement
PyMACS
Prepare and analyze molecular-dynamics workflows for degrader and ternary-complex refinement.
Deployment link pendingScientific framing
From target to experiment-ready design
Targeted protein degrader discovery requires simultaneous consideration of target engagement, ligandability, E3 ligase recruitment, attachment-vector accessibility, linker geometry, ternary-complex formation, protein–protein complementarity, and conformational stability.
The PROTAC Builder Ecosystem connects these normally fragmented computational decisions into an iterative workflow intended to reduce the design space before synthesis and experimental testing.
The platform prioritizes structurally plausible candidates for experimental evaluation rather than replacing experimental validation.
Explore further
Poster Resources
Poster download and publication links will appear here when verified project resources are available.