Probing the aurone scaffold against Plasmodium falciparum: Design, synthesis and antimalarial activity von Carrasco, Marta P., Newton, Ana S., Gonçalves, Lídia, Góis, Ana, Machado, Marta, Gut, Jiri, Nogueira, Fátima, Hänscheid, Thomas, Guedes, Rita C., dos Santos, Daniel J.V.A., Rosenthal, Philip J., Moreira, Rui

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Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2 von Cutrona, Kara J, Newton, Ana S, Krimmer, Stefan G, Tirado-Rives, Julian, Jorgensen, William L

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Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands von Liosi, Maria-Elena, Ippolito, Joseph A., Henry, Sean P., Krimmer, Stefan G., Newton, Ana S., Cutrona, Kara J., Olivarez, Rene A., Mohanty, Jyotidarsini, Schlessinger, Joseph, Jorgensen, William L.

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Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core von Liosi, Maria-Elena, Krimmer, Stefan G, Newton, Ana S, Dawson, Thomas K, Puleo, David E, Cutrona, Kara J, Suzuki, Yoshihisa, Schlessinger, Joseph, Jorgensen, William L

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Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant von Newton, Ana S., Liosi, Maria-Elena, Henry, Sean P., Deiana, Luca, Faver, John C., Krimmer, Stefan G., Puleo, David E., Schlessinger, Joseph, Jorgensen, William L.

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Orchestrating a Highly Interactive Virtual Student Research Symposium von Freeze, Jessica G, Martin, Jessica A, Fitzgerald, Patrick, Jakiela, Dennis J, Reinhardt, Clorice R, Newton, Ana S

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Covalent Modification of the JH2 Domain of Janus Kinase 2 von Henry, Sean P., Liosi, Maria-Elena, Ippolito, Joseph A., Menges, Fabian, Newton, Ana S., Schlessinger, Joseph, Jorgensen, William L.

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Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders von Puleo, David E, Kucera, Kaury, Hammarén, Henrik M, Ungureanu, Daniela, Newton, Ana S, Silvennoinen, Olli, Jorgensen, William L, Schlessinger, Joseph

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Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies von Henry, Sean P., Liosi, Maria-Elena, Ippolito, Joseph A., Cutrona, Kara J., Krimmer, Stefan G., Newton, Ana S., Schlessinger, Joseph, Jorgensen, William L.

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Structure-Guided Identification of DNMT3B Inhibitors von Newton, Ana S, Faver, John C, Micevic, Goran, Muthusamy, Viswanathan, Kudalkar, Shalley N, Bertoletti, Nicole, Anderson, Karen S, Bosenberg, Marcus W, Jorgensen, William L

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JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules von Newton, Ana S, Deiana, Luca, Puleo, David E, Cisneros, José A, Cutrona, Kara J, Schlessinger, Joseph, Jorgensen, William L

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Novel anti-Plasmodial hits identified by virtual screening of the ZINC database von Mugumbate, Grace, Newton, Ana S., Rosenthal, Philip J., Gut, Jiri, Moreira, Rui, Chibale, Kelly, Guedes, Rita C.

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An Endoperoxide-Based Hybrid Approach to Deliver Falcipain Inhibitors Inside Malaria Parasites von Oliveira, Rudi, Newton, Ana S., Guedes, Rita C., Miranda, Daniela, Amewu, Richard K., Srivastava, Abhishek, Gut, Jiri, Rosenthal, Philip J., O'Neill, Paul M., Ward, Stephen A., Lopes, Francisca, Moreira, Rui

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Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor von Dawson, Thomas K, Dziedzic, Pawel, Robertson, Michael J, Cisneros, José A, Krimmer, Stefan G, Newton, Ana S, Tirado-Rives, Julian, Jorgensen, William L

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Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure–activity study von Newton, Ana S., Glória, Paulo M.C., Gonçalves, Lídia M., dos Santos, Daniel J.V.A., Moreira, Rui, Guedes, Rita C., Santos, Maria M.M.

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Aspartic vinyl sulfones: Inhibitors of a caspase-3-dependent pathway von Glória, Paulo M.C., Coutinho, Isabel, Gonçalves, Lídia M., Baptista, Cristina, Soares, Joana, Newton, Ana S., Moreira, Rui, Saraiva, Lucília, Santos, Maria M.M.

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Effect of triclosan (TRN) on energy-linked functions of rat liver mitochondria von Newton, Ana Paula Negrelo, Cadena, Silvia Maria S.C., Rocha, Maria Eliane Merlin, Carnieri, Eva Gunilla Skäre, Martinelli de Oliveira, Maria Benigna

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Predictive models for identifying risk of readmission after index hospitalization for heart failure: A systematic review von Mahajan, Satish M, Heidenreich, Paul, Abbott, Bruce, Newton, Ana, Ward, Deborah

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Metadynamics as a Post-Processing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2 von Cutrona, Kara J., Newton, Ana S., Krimmer, Stefan G., Tirado-Rives, Julian, Jorgensen, William L.

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Substituent effects on O-H and S-H bond dissociation enthalpies of disubstituted phenols and thiophenols von dos Santos, Daniel J. V. A., Newton, Ana S., Bernardino, Raul, Guedes, Rita C.

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