Georgia B. McGaughey

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2020 J jnl
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des.
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
2020 J jnl
Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation.
J. Chem. Inf. Model.
Michael J. Bower, Alex M. Aronov, Thomas Cleveland, Niresh Hariparsad, Georgia B. McGaughey, Daniel R. McMasters, Xiaodan Zhang, Brian Goldman
2019 J jnl
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals.
J. Chem. Inf. Model.
Georgia B. McGaughey, Rebecca Swett, Sara Swift, Ewa I. Chudyk, Kathryn Wong
2018 J jnl
Computational Chemistry: A Rising Tide of Women.
J. Chem. Inf. Model.
M. Katharine Holloway, Georgia B. McGaughey
2017 J jnl
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.
J. Comput. Aided Mol. Des.
Georgia B. McGaughey, W. Patrick Walters
2016 J jnl
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.
J. Comput. Aided Mol. Des.
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
2016 J jnl
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity.
J. Chem. Inf. Model.
Yu-Chen Chen, Robert Tolbert, Alex M. Aronov, Georgia B. McGaughey, W. Patrick Walters, Lidio Meireles
2016 J jnl
Understanding covariate shift in model performance.
F1000Research
Georgia B. McGaughey, W. Patrick Walters, Brian Goldman
2014 J jnl
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs.
J. Comput. Aided Mol. Des.
Georgia B. McGaughey, Christopher I. Bayly, Christopher D. Cox, John D. Schreier, Michael J. Breslin, Michael Bogusky, Steve Pitzenberger, Richard Ball, Paul J. Coleman
2008 J jnl
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.
J. Comput. Aided Mol. Des.
Robert P. Sheridan, Georgia B. McGaughey, Wendy D. Cornell
2007 J jnl
Comparison of Topological, Shape, and Docking Methods in Virtual Screening.
J. Chem. Inf. Model.
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
1996 J jnl
Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds.
J. Comput. Chem.
Georgia B. McGaughey, Eugene L. Stewart, J. Phillip Bowen
1995 J jnl
Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds.
J. Comput. Chem.
Georgia B. McGaughey, Eugene L. Stewart, J. Phillip Bowen