M
Mee Shelley
Researcher at Schrödinger
Publications - 37
Citations - 8362
Mee Shelley is an academic researcher from Schrödinger. The author has contributed to research in topics: Muon spin spectroscopy & Muonium. The author has an hindex of 16, co-authored 36 publications receiving 7244 citations. Previous affiliations of Mee Shelley include D. E. Shaw Research & University of British Columbia.
Papers
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Journal ArticleDOI
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.
Journal ArticleDOI
A Coarse Grain Model for Phospholipid Simulations
TL;DR: In this article, a coarse grain model for phospholipids was systematically parametrized to mimic structural properties obtained from an atomistic simulation of a dimyristoylphosphatidylcholine bilayer.
Journal ArticleDOI
Computer simulation of surfactant solutions
John C. Shelley,Mee Shelley +1 more
TL;DR: In this paper, the development of structure in surfactant solutions has been studied using atomistic, coarse grain and mesoscopic models and phase diagrams have been used to determine phase diagrams.
Journal ArticleDOI
Simulations of Phospholipids Using a Coarse Grain Model
John C. Shelley,Mee Shelley,Robert C. Reeder,Sanjoy Bandyopadhyay,and Preston B. Moore,Michael L. Klein +5 more
TL;DR: A computationally efficient coarse grain model designed to closely mimic specific phospholipids is used to study a number of phosphophilipid systems to demonstrate its strengths and weaknesses as discussed by the authors.
Reference EntryDOI
Flexible ligand docking with Glide.
TL;DR: This unit presents protocols for flexible ligand docking with Glide, optionally including ligand constraints or ligand molecular similarities.