Schrodinger CombiGlide-v68128

Schrodinger CombiGlide-v68128 by Schrödinger, LLC is a structure-based combinatorial library design and virtual screening solution built on the proven Glide docking engine. It enables medicinal and computational chemists to rapidly explore R‑group space around a defined scaffold, prioritize synthesizable analogs, and focus experimental effort on the most promising candidates.

Key capabilities:

• Combinatorial library design around user-defined cores with reagent and R-group lists
• Fast, structure-based screening using Glide (HTVS, SP, and XP) with post-docking refinement
• On-the-fly enumeration and docking to scale up to very large libraries
• Property and drug-likeness filtering (e.g., physicochemical rules) to focus libraries before docking
• Receptor and binding-mode constraints, hydrogen-bond and pharmacophore considerations
• Hit triage with ranking, clustering, and SAR-focused analysis
• Seamless workflow in Maestro and compatibility with broader Schrödinger discovery tools

Typical use cases:

• Lead optimization via targeted R-group exploration
• Focused library design guided by a protein structure or known binding mode
• Rapid prioritization of reagents for parallel synthesis

CombiGlide-v68128 is offered as part of the Schrödinger Suite and requires a valid license. For supported platforms, performance options, and integration details, consult Schrödinger’s product documentation.

Schrodinger CombiGlide-v68128 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 6.8.