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

Por Moraca, Francesca, Rinaldo, David, Smith, Amos B., Abrams, Cameron F.
Publicado no ChemMedChem (2018)

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

Por Moraca, Francesca, Acharya, Kriti, Melillo, Bruno, Smith, Amos B., Chaiken, Irwin, Abrams, Cameron F.
Publicado no J Chem Inf Model (2016)

Recognition of HIV-Inactivating Peptide Triazoles by the Recombinant Soluble Env Trimer, BG505 SOSIP.664

Por Acharya, Kriti, Rashad, Adel A., Moraca, Francesca, Klasse, Per Johan, Moore, John P., Abrams, Cameron, Chaiken, Irwin
Publicado no Proteins (2017)

New Promising Compounds with in Vitro Nanomolar Activity against Trypanosoma cruzi

Por Friggeri, Laura, Scipione, Luigi, Costi, Roberta, Kaiser, Marcel, Moraca, Francesca, Zamperini, Claudio, Botta, Bruno, Di Santo, Roberto, De Vita, Daniela, Brun, Reto, Tortorella, Silvano
Publicado em 2013

The β20–β21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions

Por Herschhorn, Alon, Gu, Christopher, Moraca, Francesca, Ma, Xiaochu, Farrell, Mark, Smith, Amos B., Pancera, Marie, Kwong, Peter D., Schön, Arne, Freire, Ernesto, Abrams, Cameron, Blanchard, Scott C., Mothes, Walther, Sodroski, Joseph G.
Publicado no Nat Commun (2017)

Publisher Correction: The β20–β21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions

Por Herschhorn, Alon, Gu, Christopher, Moraca, Francesca, Ma, Xiaochu, Farrell, Mark, Smith, Amos B., Pancera, Marie, Kwong, Peter D., Schön, Arne, Freire, Ernesto, Abrams, Cameron, Blanchard, Scott C., Mothes, Walther, Sodroski, Joseph G.
Publicado no Nat Commun (2018)