P
Peter S Shenkin
Researcher at D. E. Shaw Research
Publications - 1
Citations - 6828
Peter S Shenkin is an academic researcher from D. E. Shaw Research. The author has contributed to research in topics: Lead Finder & Searching the conformational space for docking. The author has an hindex of 1, co-authored 1 publications receiving 5792 citations.
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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
Richard A. Friesner,Jay L. Banks,Robert B. Murphy,Thomas A. Halgren,Jasna Klicic,Daniel T. Mainz,Matthew P. Repasky,Eric H. Knoll,Mee Shelley,Jason K. Perry,David E. Shaw,Perry Francis,Peter S Shenkin +12 more
TL;DR: Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand to find the best docked pose using a model energy function that combines empirical and force-field-based terms.