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Georgia 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
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
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
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
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
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
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
Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds. J. Comput. Chem. 16(10): 1250-1260 (1995)
Coauthor Index
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