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ORCIDDiane Joseph-McCarthy
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2020 – today
- 2024
[j16]Rang Li
, Sabrina Wilderotter, Madison Stoddard, Debra Van Egeren, Arijit Chakravarty, Diane Joseph-McCarthy:
Computational identification of antibody-binding epitopes from mimotope datasets. Frontiers Bioinform. 4 (2024)- [j15]Jingmei Yang, Kenji C. Walker, Ayse A. Bekar-Cesaretli, Boran Hao, Nahid Bhadelia, Diane Joseph-McCarthy, Ioannis Ch. Paschalidis:
Automating biomedical literature review for rapid drug discovery: Leveraging GPT-4 to expedite pandemic response. Int. J. Medical Informatics 189: 105500 (2024) - [j14]Maria Lazou, Jonathan R. Hutton, Arijit Chakravarty, Diane Joseph-McCarthy:
Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interface. J. Comput. Aided Mol. Des. 38(1): 6 (2024) - [j13]Ayse A. Bekar-Cesaretli, Omeir Khan, Thu Nguyen, Dima Kozakov, Diane Joseph-McCarthy, Sandor Vajda:
Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2. J. Chem. Inf. Model. 64(3): 960-973 (2024) - [j12]Omeir Khan, George Jones, Maria Lazou, Diane Joseph-McCarthy, Dima Kozakov, Dmitri Beglov, Sandor Vajda:
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites. J. Chem. Inf. Model. 64(6): 2084-2100 (2024)
2010 – 2019
- 2015
- [j11]Alexander S. Bayden, Demetri T. Moustakas, Diane Joseph-McCarthy, Michelle L. Lamb:
Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP. J. Chem. Inf. Model. 55(8): 1552-1565 (2015) - 2014
- [j10]Diane Joseph-McCarthy, Arthur J. Campbell, Gunther Kern, Demetri Moustakas:
Fragment-Based Lead Discovery and Design. J. Chem. Inf. Model. 54(3): 693-704 (2014) - [j9]Arthur J. Campbell, Michelle L. Lamb, Diane Joseph-McCarthy:
Ensemble-Based Docking Using Biased Molecular Dynamics. J. Chem. Inf. Model. 54(7): 2127-2138 (2014) - 2012
- [j8]Sameer Kawatkar, Demetri Moustakas, Matthew Miller, Diane Joseph-McCarthy:
Virtual fragment screening: exploration of MM-PBSA re-scoring. J. Comput. Aided Mol. Des. 26(8): 921-934 (2012)
2000 – 2009
- 2009
- [j7]Diane Joseph-McCarthy:
Challenges of fragment screening. J. Comput. Aided Mol. Des. 23(8): 449-451 (2009) - [j6]Sameer Kawatkar, Hongming Wang, Ryszard Czerminski, Diane Joseph-McCarthy:
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide. J. Comput. Aided Mol. Des. 23(8): 527-539 (2009) - 2008
- [j5]David C. Thompson, Rajiah Aldrin Denny, Ramaswamy Nilakantan, Christine Humblet, Diane Joseph-McCarthy, Eric Feyfant:
CONFIRM: connecting fragments found in receptor molecules. J. Comput. Aided Mol. Des. 22(10): 761-772 (2008) - [j4]David C. Thompson, Christine Humblet, Diane Joseph-McCarthy:
Investigation of MM-PBSA Rescoring of Docking Poses. J. Chem. Inf. Model. 48(5): 1081-1091 (2008) - 2007
- [j3]Erik Evensen, Diane Joseph-McCarthy, Gregory A. Weiss, Stuart L. Schreiber, Martin Karplus:
Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4. J. Comput. Aided Mol. Des. 21(7): 395-418 (2007) - 2001
- [j2]Ryan Bitetti-Putzer, Diane Joseph-McCarthy, James M. Hogle, Martin Karplus:
Functional group placement in protein binding sites: a comparison of GRID and MCSS. J. Comput. Aided Mol. Des. 15(10): 935-960 (2001) - 2000
- [j1]Carl D. Elkin, Harmon J. Zuccola, James M. Hogle, Diane Joseph-McCarthy:
Computational design of d-peptide inhibitors of hepatitis delta antigen dimerization. J. Comput. Aided Mol. Des. 14(8): 705-718 (2000)
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