Address

Contact

Email: francesca.moraca@schrodinger.com

Francesca Moraca

Postdoctoral Researcher

2014-2016
“Computational Design of HIV-1 Entry Inhibitors”

Publications:

C. Fritschi, S. Liang, M. Mohammadi, S. Anang, F. Moraca, J. Chen, N. Madani, J. Sodroski, C. Abrams, W. Hendrickson, and A. B. Smith III, “Identification and Validation of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics,” ACS Medicinal Chemistry Letters, vol. 12, pp. 1824-1831, 2021. [Bibtex] [doi]
@article{Fritschi2021,
author = {Christopher Fritschi and Shuaiyi Liang and Mohammadjavad Mohammadi and Saumya Anang and
Francesca Moraca and Junhua Chen and Navid Madani and Joseph Sodroski and Cameron Abrams and
Wayne Hendrickson and Smith III, Amos B.},
title = {{Identification and Validation of gp120 Residue His105 as a Novel Target for HIV-1
Neutralization by Small-Molecule CD4-Mimics}},
journal = {{ACS Medicinal Chemistry Letters}},
volume={12},
pages={1824-1831},
doi={10.1021/acsmedchemlett.1c00437},
url={https://doi.org/10.1021/acsmedchemlett.1c00437},
year={2021}
}

F. Moraca, D. Rinaldo, A. B. Smith, and C. F. Abrams, “Specific noncovalent interactions determine optimal structure of a buried ligand moiety: QM/MM and pure QM modeling of complexes of the small-molecule CD4 mimetics and HIV-1 gp120,” ChemMedChem, vol. 13, iss. 6, p. 627–633, 2018. [Bibtex] [doi]
@article{Moraca_2018,
doi = {10.1002/cmdc.201700728},
url = {https://doi.org/10.1002%2Fcmdc.201700728},
year = 2018,
month = {feb},
publisher = {Wiley},
volume = {13},
number = {6},
pages = {627--633},
author = {Francesca Moraca and David Rinaldo and Amos B. Smith and Cameron F. Abrams},
title = {Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: {QM}/{MM} and Pure {QM} Modeling of Complexes of the Small-Molecule {CD}4 Mimetics and {HIV}-1 gp120},
journal = {{ChemMedChem}}
}

A. Herschhorn, C. Gu, F. Moraca, X. Ma, M. Farrell, A. B. Smith, M. Pancera, P. D. Kwong, A. Schön, E. Freire, C. Abrams, S. C. Blanchard, W. Mothes, and J. G. Sodroski, “The β20-β21 of gp120 is a regulatory switch for HIV-1 env conformational transitions,” Nature Communications, vol. 8, iss. 1, 2017. [Bibtex] [doi]
@article{Herschhorn_2017,
doi = {10.1038/s41467-017-01119-w},
url = {https://doi.org/10.1038%2Fs41467-017-01119-w},
year = 2017,
month = {oct},
publisher = {Springer Science and Business Media {LLC}},
volume = {8},
number = {1},
author = {Alon Herschhorn and Christopher Gu and Francesca Moraca and Xiaochu Ma and Mark Farrell and Amos B. Smith and Marie Pancera and Peter D. Kwong and Arne Sch{\"o}n and Ernesto Freire and Cameron Abrams and Scott C. Blanchard and Walther Mothes and Joseph G. Sodroski},
title = {The β20-β21 of gp120 is a regulatory switch for {HIV}-1 Env conformational transitions},
journal = {{Nature Communications}}
}

K. Acharya, A. A. Rashad, F. Moraca, P. J. Klasse, J. P. Moore, C. Abrams, and I. Chaiken, “Recognition of HIV-inactivating peptide triazoles by the recombinant soluble env trimer, BG505 SOSIP.664,” Proteins: Structure, Function, and Bioinformatics, vol. 85, iss. 5, p. 843–851, 2017. [Bibtex] [doi]
@article{Acharya_2017,
doi = {10.1002/prot.25238},
url = {https://doi.org/10.1002%2Fprot.25238},
year = 2017,
month = {mar},
publisher = {Wiley},
volume = {85},
number = {5},
pages = {843--851},
author = {Kriti Acharya and Adel A. Rashad and Francesca Moraca and Per Johan Klasse and John P. Moore and Cameron Abrams and Irwin Chaiken},
title = {Recognition of {HIV}-inactivating peptide triazoles by the recombinant soluble Env trimer, {BG}505 {SOSIP}.664},
journal = {{Proteins: Structure, Function, and Bioinformatics}}
}

F. Moraca, K. Acharya, B. Melillo, A. B. Smith, I. Chaiken, and C. F. Abrams, “Computational evaluation of HIV-1 gp120 conformations of soluble trimeric gp140 structures as targets for de novo docking of first- and second-generation small-molecule CD4 mimics,” Journal of Chemical Information and Modeling, vol. 56, iss. 10, p. 2069–2079, 2016. [Bibtex] [doi]
@article{Moraca_2016,
doi = {10.1021/acs.jcim.6b00393},
url = {https://doi.org/10.1021%2Facs.jcim.6b00393},
year = 2016,
month = {sep},
publisher = {American Chemical Society ({ACS})},
volume = {56},
number = {10},
pages = {2069--2079},
author = {Francesca Moraca and Kriti Acharya and Bruno Melillo and Amos B. Smith and Irwin Chaiken and Cameron F. Abrams},
title = {Computational Evaluation of {HIV}-1 gp120 Conformations of Soluble Trimeric gp140 Structures as Targets for de Novo Docking of First- and Second-Generation Small-Molecule {CD}4 Mimics},
journal = {{Journal of Chemical Information and Modeling}}
}

Professional Experience

  1. 2016-
    Scientist
    Schrodinger, Inc.
  2. 2014-2016
    Postdoctoral Researcher
    Drexel University and University of Pennsylvania