Juan C. Mobarec, Ph.D.
Affiliations: |
Area:
Drug Discovery in Pharma, Computational Chemistry and Biologics, Structure-Based Drug Design, Molecular Modeling, Machine Learning, Artificial Intelligence, Data Analysis, Protein Engineering, Molecular Dynamics SimulationsGoogle:
"Mobarec JC"Mean distance: 12
Parents
Sign in to add mentor| Roberto Sanchez | research assistant | 2006 | Mount Sinai, NYU (Computational Biology Tree) | |
| Octavio Monasterio | grad student | 2001-2004 | University of Chile | |
| (Design, Construction, Structural and Functional Characterization of Mutants of FtsZ of E.coli Q194K and N328: Residues that confer thermal stability to M. jannaschii) | ||||
| Roman Osman | grad student | 2011 | Mount Sinai | |
| (The Impact of New Structural Information on the Computational Modeling of G Protein-Coupled Receptors.) | ||||
| Marta Filizola | grad student | 2007-2011 | Mount Sinai School of Medicine | |
| (The Impact of New Structural Information on the Computational Modeling of G Protein-Coupled Receptors.) | ||||
| Peter Kolb | post-doc | 2012-2015 | University of Marburg | |
| Christopher A. Reynolds | post-doc | 2015-2017 | University of Essex (United Kingdom) | |
Collaborators
Sign in to add collaborator| Wen Guo | collaborator | ||
| Jonathan A. Javitch | collaborator | 2008 | (Neurotree) |
| Moritz Bünemann | collaborator | 2012-2015 | (Neurotree) |
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Publications
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| Reeder BJ, Deganutti G, Ukeri J, et al. (2024) The circularly permuted globin domain of androglobin exhibits atypical heme stabilization and nitric oxide interaction. Chemical Science. 15: 6738-6751 |
| Sampson JM, Cannon DA, Duan J, et al. (2024) Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations Journal of Molecular Biology |
| Reeder B, Deganutti G, Ukeri J, et al. (2024) The circularly permuted globin domain of Androglobin exhibits atypical heme stabilization and nitric oxide interaction Chemical Science |
| Chatterjee A, Ravandi B, Philip NH, et al. (2024) Topology-Driven Negative Sampling Enhances Generalizability in Protein-Protein Interaction Prediction Biorxiv |
| Zorn K, Back CR, Barringer R, et al. (2023) Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases. Chembiochem : a European Journal of Chemical Biology. e202300382 |
| Pipitò L, Reynolds CA, Mobarec JC, et al. (2022) A Pathway Model to Understand the Evolution of Spike Protein Binding to ACE2 in SARS-CoV-2 Variants. Biomolecules. 12 |
| Dong M, Harikumar KG, Raval SR, et al. (2020) Rational development of a high-affinity secretin receptor antagonist. Biochemical Pharmacology. 113929 |
| Mobarec JC, Caine B, Mok Y, et al. (2020) Evolutionary Chemistry for the Design of Desired Pharmacological Profiles. Rsc 3rd Ai in Chemistry |
| O'Brien A, Andrews SP, Baig AH, et al. (2019) Identification of a novel allosteric GLP-1R antagonist HTL26119 using structure- based drug design. Bioorg Med Chem Lett.. 29: 126611 |
| Woolley MJ, Reynolds CA, Simms J, et al. (2017) Receptor activity-modifying protein dependent and independent activation mechanisms in the coupling of calcitonin gene-related peptide and adrenomedullin receptors to Gs. Biochemical Pharmacology |