Running ChemSTEP with SymDOCK: Revision history

Jump to navigation Jump to search

Diff selection: Mark the radio buttons of the revisions to compare and hit enter or the button at the bottom.
Legend: (cur) = difference with latest revision, (prev) = difference with preceding revision, m = minor edit.

7 July 2026

  • curprev 17:2017:20, 7 July 2026‎ Kholland talk contribs‎ 11,120 bytes +11,120‎ Created page with "last update: july7 2026 katie. ChemSTEP (Chemical Space Traversal and Exploration Procedure) is an open-source, transparent acceleration algorithm for molecular docking capable of dealing with virtual libraries of several trillion compounds. This wiki page is a guide for BKS lab members to run ChemSTEP on Wynton HPC, using a subset of ZINC (22B or 72B) or 13.3B library from Enamine REAL. At a high-level, ChemSTEP is an iterative process that identifies molecules from..."
Retrieved from "http://wiki.docking.org/index.php?title=Running_ChemSTEP_with_SymDOCK"