Mark McGann

FRED Pose Prediction and Virtual Screening Accuracy

Mark McGann · Journal of Chemical Information and Modeling · 2011 · 751 citations

Engineering, Human Pose Estimation, Hit Identification +26

FRED and HYBRID docking performance on standardized datasets

Mark McGann · Journal of Computer-Aided Molecular Design · 2012 · 500 citations

Performance Portability, Cluster Computing, Engineering +11

Gaussian docking functions

Mark McGann, Harold R. Almond, Anthony Nicholls et al. · Biopolymers · 2002 · 491 citations

Structural Bioinformatics, Biomolecular Structure Prediction, Molecular Biology +16

The statistics of virtual screening and lead optimization

Mark McGann, Anthony Nicholls, Istvan Enyedy · Journal of Computer-Aided Molecular Design · 2015 · 17 citations

Quantitative Management, Engineering, Data Science +4

Chain Length Effects on the Thermodynamic Properties of <i>n</i>-Alkane Crystals

Mark McGann, Daniel J. Lacks · The Journal of Physical Chemistry B · 1999 · 15 citations

Engineering, Chemistry, Soft Matter +17