Schrodinger Glide-v98128

Schrödinger Glide v98128 by Schrödinger, LLC is a high‑performance molecular docking and virtual screening engine used in structure‑based drug discovery. Glide predicts ligand binding poses in protein active sites and ranks compounds with proprietary scoring functions to help researchers prioritize hits, optimize leads, and guide medicinal chemistry decisions. Integrated tightly with the Schrödinger Suite and the Maestro interface, it supports both interactive workflows and large‑scale, automated campaigns.

Highlights

• Multiple precision modes: HTVS for very fast screening, SP for balanced speed and accuracy, and XP for rigorous pose prediction and enrichment.
• Advanced scoring: GlideScore and related energy terms enable reliable ranking; Emodel helps select poses based on combined score and geometry.
• Robust sampling and constraints: Supports positional/core constraints and pharmacophore filters to enforce key interactions or alignments.
• Receptor flexibility options: Works seamlessly with Induced Fit Docking workflows to account for side‑chain and backbone adjustments when needed.
• Ensemble and water‑aware docking: Facilitates docking against multiple receptor conformations and supports treatment of key waters in binding sites.
• End‑to‑end integration: Connects with Protein Preparation Wizard, LigPrep/Epik for ligand states, and post‑docking refinement such as Prime MM‑GBSA.
• Scalable execution: Runs from Maestro or the command line and can be distributed over compute resources for high‑throughput campaigns.
• Clear outputs: Generates ranked poses, docking scores, and interaction analyses in standard formats for downstream modeling and reporting.

Typical use cases

• High‑throughput virtual screening of large libraries against a protein target
• Pose prediction and interaction analysis for SAR interpretation
• Lead optimization through prioritized analog docking and rescoring
• Hypothesis testing for binding modes, key contacts, and selectivity

Notes

• Glide v98128 is part of the commercial Schrödinger Suite and requires a valid license.
• Specific features and performance characteristics may vary by build and platform; consult the release notes for details relevant to v98128.

Schrodinger Glide-v98128 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 9.8.