We are thrilled to announce the latest release of PELE 1.9, now featuring PELE Loop Closure, designed to improve the conformational exploration of flexible loops in proteins and RNA.
🔍 What is PELE Loop Closure?
This new inverse kinematics-based algorithm expands PELE’s capabilities by introducing a robust loop sampling protocol that enables:
▶️ Integration of a loop closure algorithm while allowing for boundary and constraints definition
▶️ Enhanced exploration of disordered and flexible loops
▶️ Refinement of loop conformations in protein-ligand interactions
We are currently validating PELE Loop Closure on a benchmark. If you’re interested in collaborating or testing it on your own system, let’s talk!
Linkedin’s post :
https://www.linkedin.com/feed/update/urn:li:activity:7295769947434020865
