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ORCIDGeorgia B. McGaughey
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2020 – today
- 2020
[j12]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): 99-119 (2020)- [j11]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): 2091-2099 (2020)
2010 – 2019
- 2019
- [j10]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): 1693-1696 (2019) - 2018
- [j9]M. Katharine Holloway, Georgia B. McGaughey:
Computational Chemistry: A Rising Tide of Women. J. Chem. Inf. Model. 58(5): 911-915 (2018) - 2017
- [j8]Georgia B. McGaughey, W. Patrick Walters:
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact. J. Comput. Aided Mol. Des. 31(3): 293-300 (2017) - 2016
- [j7]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): 1139-1141 (2016) - [j6]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): 1734-1745 (2016) - [i1]Georgia B. McGaughey, W. Patrick Walters, Brian Goldman:
Understanding covariate shift in model performance. F1000Research 5: 597 (2016) - 2014
- [j5]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): 5-12 (2014)
2000 – 2009
- 2008
- [j4]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): 257-265 (2008) - 2007
- [j3]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): 1504-1519 (2007)
1990 – 1999
- 1996
- [j2]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): 1395-1405 (1996) - 1995
- [j1]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): 1250-1260 (1995)
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