Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds. - Georgia B. McGaughey; Eugene L. Stewart; J. Phillip Bowen (J. Comput. Chem., 1995)

Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds. - Georgia B. McGaughey; Eugene L. Stewart; J. Phillip Bowen (J. Comput. Chem., 1996)

Comparison of Topological, Shape, and Docking Methods in Virtual Screening. - Georgia B. McGaughey; Robert P. Sheridan; Christopher I. Bayly; J. Christopher Culberson; Constantine Kreatsoulas; Stacey Lindsley; Vladimir N. Maiorov; Jean-François Truchon; Wendy D. Cornell (J. Chem. Inf. Model., 2007)

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results. - Robert P. Sheridan; Georgia B. McGaughey; Wendy D. Cornell (J. Comput. Aided Mol. Des., 2008)

Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs. - Georgia B. McGaughey; Christopher I. Bayly; Christopher D. Cox; John D. Schreier; Michael J. Breslin; Michael Bogusky; Steve Pitzenberger; Richard Ball; Paul J. Coleman (J. Comput. Aided Mol. Des., 2014)

Understanding covariate shift in model performance. - Georgia B. McGaughey; W. Patrick Walters; Brian Goldman (F1000Research, 2016)

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. - Bradley Sherborne; Veerabahu Shanmugasundaram; Alan C. Cheng; Clara D. Christ; Renee L. DesJarlais; José S. Duca; Richard A. Lewis; Deborah A. Loughney; Eric S. Manas; Georgia B. McGaughey; Catherine E. Peishoff; Herman van Vlijmen (J. Comput. Aided Mol. Des., 2016)

Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity. - Yu-Chen Chen; Robert Tolbert; Alex M. Aronov; Georgia B. McGaughey; W. Patrick Walters; Lidio Meireles (J. Chem. Inf. Model., 2016)

Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact. - Georgia B. McGaughey; W. Patrick Walters (J. Comput. Aided Mol. Des., 2017)

Computational Chemistry: A Rising Tide of Women. - M. Katharine Holloway; Georgia B. McGaughey (J. Chem. Inf. Model., 2018)

A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals. - Georgia B. McGaughey; Rebecca Swett; Sara Swift; Ewa I. Chudyk; Kathryn Wong (J. Chem. Inf. Model., 2019)

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. - Conor D. Parks; Zied Gaieb; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Johanna M. Jansen; Georgia B. McGaughey; Richard A. Lewis; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; et al. (J. Comput. Aided Mol. Des., 2020)

Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation. - Michael J. Bower; Alex M. Aronov; Thomas Cleveland; Niresh Hariparsad; Georgia B. McGaughey; Daniel R. McMasters; Xiaodan Zhang; Brian Goldman (J. Chem. Inf. Model., 2020)