Rosetta 3.15

Message boards : Rosetta@home Science : Rosetta 3.15

To post messages, you must log in.

AuthorMessage
Profile [VENETO] boboviz

Send message
Joined: 1 Dec 05
Posts: 2128
Credit: 12,437,211
RAC: 1,346
Message 113186 - Posted: 5 Nov 2025, 14:28:01 UTC

Rosetta 3.15 released

Rosetta 3.15 introduces several new protocols focused on modeling and designing small-molecule ligands and noncanonical amino acids. These include:

REvoLd (Rosetta Evolutionary Ligand) for evolutionary ligand design
RosettaAMRLD for automated Monte Carlo reaction-based ligand design
GALigandDock, which integrates cryoEM density to evaluate ligand docking
New apps and tools such as sim_cryo for cryoEM density simulation, expanded ligand motifs utilities, and a new FakeRotLib approach for NCAAs

Beyond protocols, Rosetta 3.15 adds new movers, filters, and chemistries to expand options for drug design, ligand docking, and structural modeling workflows

ID: 113186 · Rating: 0 · rate: Rate + / Rate - Report as offensive    Reply Quote

Message boards : Rosetta@home Science : Rosetta 3.15



©2025 University of Washington
https://www.bakerlab.org