Georgia B. McGaughey

Orcid: 0000-0002-3586-965X

According to our database1, Georgia B. McGaughey authored at least 13 papers between 1995 and 2020.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2020
Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation.
J. Chem. Inf. Model., 2020

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 2020

2019
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals.
J. Chem. Inf. Model., 2019

2018
Computational Chemistry: A Rising Tide of Women.
J. Chem. Inf. Model., 2018

2017
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.
J. Comput. Aided Mol. Des., 2017

2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity.
J. Chem. Inf. Model., 2016

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.
J. Comput. Aided Mol. Des., 2016

Understanding covariate shift in model performance.
F1000Research, 2016

2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs.
J. Comput. Aided Mol. Des., 2014

2008
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.
J. Comput. Aided Mol. Des., 2008

2007
Comparison of Topological, Shape, and Docking Methods in Virtual Screening.
J. Chem. Inf. Model., 2007

1996
Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds.
J. Comput. Chem., 1996

1995
Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds.
J. Comput. Chem., 1995


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