Georgia B. McGaughey

Publication Activity (10 Years)

Years Active: 1995-2020
Publications (10 Years): 8

Top Topics

Predicting Protein

Computational Chemistry

Protein Secondary Structure Prediction

Remote Homology Detection

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des. 34 (2) (2020)
Michael J. Bower, Alex M. Aronov, Thomas Cleveland, Niresh Hariparsad, Georgia B. McGaughey, Daniel R. McMasters, Xiaodan Zhang, Brian Goldman
Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation. J. Chem. Inf. Model. 60 (4) (2020)
Georgia B. McGaughey, Rebecca Swett, Sara Swift, Ewa I. Chudyk, Kathryn Wong
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals. J. Chem. Inf. Model. 59 (5) (2019)
M. Katharine Holloway, Georgia B. McGaughey
Computational Chemistry: A Rising Tide of Women. J. Chem. Inf. Model. 58 (5) (2018)
Georgia B. McGaughey, W. Patrick Walters
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact. J. Comput. Aided Mol. Des. 31 (3) (2017)
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
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. J. Comput. Aided Mol. Des. 30 (12) (2016)
Georgia B. McGaughey, W. Patrick Walters, Brian Goldman
Understanding covariate shift in model performance. F1000Research 5 (2016)
Yu-Chen Chen, Robert Tolbert, Alex M. Aronov, Georgia B. McGaughey, W. Patrick Walters, Lidio Meireles
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity. J. Chem. Inf. Model. 56 (9) (2016)
Georgia B. McGaughey, Christopher I. Bayly, Christopher D. Cox, John D. Schreier, Michael J. Breslin, Michael Bogusky, Steve Pitzenberger, Richard Ball, Paul J. Coleman
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs. J. Comput. Aided Mol. Des. 28 (1) (2014)
Robert P. Sheridan, Georgia B. McGaughey, Wendy D. Cornell
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results. J. Comput. Aided Mol. Des. 22 (3-4) (2008)
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
Comparison of Topological, Shape, and Docking Methods in Virtual Screening. J. Chem. Inf. Model. 47 (4) (2007)
Georgia B. McGaughey, Eugene L. Stewart, J. Phillip Bowen
Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds. J. Comput. Chem. 17 (12) (1996)
Georgia B. McGaughey, Eugene L. Stewart, J. Phillip Bowen
Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds. J. Comput. Chem. 16 (10) (1995)