Schrodinger Prime-v71128

Schrodinger Prime-v71128 is a component of the Schrodinger molecular modeling suite designed for high-accuracy protein structure prediction and refinement. Developed by Schrodinger LLC, Prime helps researchers build and improve 3D protein models, complete missing or low-resolution regions, optimize side chains, and estimate protein–ligand binding energetics to support structure-based drug discovery.

Key capabilities:

• Homology modeling: Builds models from one or more templates with robust sequence alignment and energy-guided refinement using OPLS-family force fields.
• Loop prediction and refinement: Accurately reconstructs and optimizes missing or flexible loops and other unresolved segments.
• Side-chain optimization and backbone minimization: Improves local geometry and stereochemistry for higher-quality models.
• Prime MM-GBSA: Provides efficient binding energy estimation and pose rescoring for protein–ligand complexes; useful after docking or molecular dynamics.
• Seamless suite integration: Runs within the Maestro interface and interoperates with Glide, Desmond, and the Protein Preparation Wizard for streamlined workflows.
• Automation and reproducibility: Supports batch execution and scripting for large-scale or standardized modeling tasks.
• Clear outputs: Produces refined structures (PDB/MAE), energy scores, and summary reports suitable for analysis and handoff.

Typical uses:

• Constructing homology models when experimental structures are unavailable.
• Repairing and refining experimental structures by modeling missing loops or side chains.
• Ranking and prioritizing ligand series with Prime MM-GBSA during lead optimization.
• Assessing the structural impact of mutations and guiding protein engineering.

Licensing and availability:

• Prime is a commercial, licensed module within the Schrodinger Suite and is available for major operating systems through Schrodinger LLC.

Schrodinger Prime-v71128 is developed by Schrodinger LLC and is used by 3 users of Software Informer. The most popular version of this product among our users is 7.1.