Fernanda Duarte

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 78

Top Venues

Angewandte Chemie (International ed. in English)

Journal of the American Chemical Society

Chemical science

Nature chemistry

Pontificia Universidad Catolica de Chile (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Pontificia Universidad Catolica de Chile Mar 01 2008 - Jul 31 2012

Chile

PHD :: Chemistry

Publications

Ryan E McNamee, Nils Frank, Kirsten E Christensen, Fernanda Duarte, Edward A Anderson
Taming nonclassical carbocations to control small ring reactivity. Science advances 10 (2) (2024)
Jeremy Nugent, Adrián López-Francés, Alistair J Sterling, Min Yi Tay, Nils Frank, James J Mousseau, Fernanda Duarte, Edward A Anderson
α-Amino bicycloalkylation through organophotoredox catalysis. Chemical science 15 (28) (2024)
Ryan E McNamee, Nils Frank, Kirsten E Christensen, Fernanda Duarte, Edward A Anderson
Taming nonclassical carbocations to control small ring reactivity. Science advances 10 (2) (2024)
Hanwen Zhang, Veronika Juraskova, Fernanda Duarte
Modelling chemical processes in explicit solvents with machine learning potentials. Nature communications 15 (1) (2024)
Vicente Martí-Centelles, Tomasz K Piskorz, Fernanda Duarte
CageCavityCalc ( C 3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of chemical information and modeling 64 (14) (2024)
Hanwen Zhang, Veronika Juraskova, Fernanda Duarte
Modelling chemical processes in explicit solvents with machine learning potentials. Nature communications 15 (1) (2024)
Patrick J Boaler, Tomasz K Piskorz, Laura E Bickerton, Jianzhu Wang, Fernanda Duarte, Guy C Lloyd Jones, Paul J Lusby
Origins of High-Activity Cage-Catalyzed Michael Addition. Journal of the American Chemical Society 146 (28) (2024)
Patrick J Boaler, Tomasz K Piskorz, Laura E Bickerton, Jianzhu Wang, Fernanda Duarte, Guy C Lloyd Jones, Paul J Lusby
Origins of High-Activity Cage-Catalyzed Michael Addition. Journal of the American Chemical Society 146 (28) (2024)
Vicente Martí-Centelles, Tomasz K Piskorz, Fernanda Duarte
CageCavityCalc ( C 3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of chemical information and modeling 64 (14) (2024)
Patrick J Boaler, Tomasz K Piskorz, Laura E Bickerton, Jianzhu Wang, Fernanda Duarte, Guy C Lloyd Jones, Paul J Lusby
Origins of High-Activity Cage-Catalyzed Michael Addition. Journal of the American Chemical Society 146 (28) (2024)
Henrik Gotfredsen, Janko Hergenhahn, Fernanda Duarte, Timothy D W Claridge, Harry L Anderson
Bimolecular Sandwich Aggregates of Porphyrin Nanorings. Journal of the American Chemical Society (2024)
Patrick J Boaler, Tomasz K Piskorz, Laura E Bickerton, Jianzhu Wang, Fernanda Duarte, Guy C Lloyd Jones, Paul J Lusby
Origins of High-Activity Cage-Catalyzed Michael Addition. Journal of the American Chemical Society (2024)
Hanwen Zhang, Veronika Juraskova, Fernanda Duarte
Modelling chemical processes in explicit solvents with machine learning potentials. Nature communications 15 (1) (2024)
Vicente Martí-Centelles, Tomasz K Piskorz, Fernanda Duarte
CageCavityCalc ( C 3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of chemical information and modeling 64 (14) (2024)
Jeff M Van Raden, Jie-Ren Deng, Henrik Gotfredsen, Janko Hergenhahn, Michael Clarke, Matthew Edmondson, Jack Hart, James N O'Shea, Fernanda Duarte, Alex Saywell, Harry L Anderson
Template-Directed Synthesis of Strained meso-meso-Linked Porphyrin Nanorings. Angewandte Chemie (International ed. in English) (2024)
Jeremy Nugent, Adrián López-Francés, Alistair J Sterling, Min Yi Tay, Nils Frank, James J Mousseau, Fernanda Duarte, Edward A Anderson
α-Amino bicycloalkylation through organophotoredox catalysis. Chemical science 15 (28) (2024)
Vicente Martí-Centelles, Tomasz K Piskorz, Fernanda Duarte
CageCavityCalc ( C 3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages. Journal of chemical information and modeling (2024)
Jeff M Van Raden, Jie-Ren Deng, Henrik Gotfredsen, Janko Hergenhahn, Michael Clarke, Matthew Edmondson, Jack Hart, James N O'Shea, Fernanda Duarte, Alex Saywell, Harry L Anderson
Template-Directed Synthesis of Strained meso-meso-Linked Porphyrin Nanorings. Angewandte Chemie (International ed. in English) 63 (14) (2024)
Alistair J Sterling, Russell C Smith, Edward A Anderson, Fernanda Duarte
Beyond Strain Release: Delocalization-Enabled Organic Reactivity. The Journal of organic chemistry 89 (14) (2024)
Alistair J Sterling, Russell C Smith, Edward A Anderson, Fernanda Duarte
Beyond Strain Release: Delocalization-Enabled Organic Reactivity. The Journal of organic chemistry (2024)
Alistair J Sterling, Russell C Smith, Edward A Anderson, Fernanda Duarte
Beyond Strain Release: Delocalization-Enabled Organic Reactivity. The Journal of organic chemistry 89 (14) (2024)
Manzoor Ahmad, Toby G Johnson, Martin Flerin, Fernanda Duarte, Matthew J Langton
Responsive Anionophores with AND Logic Multi-Stimuli Activation. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Alistair J Sterling, Russell C Smith, Edward A Anderson, Fernanda Duarte
Beyond Strain Release: Delocalization-Enabled Organic Reactivity. The Journal of organic chemistry 89 (14) (2024)
Manzoor Ahmad, Toby G Johnson, Martin Flerin, Fernanda Duarte, Matthew J Langton
Responsive Anionophores with AND Logic Multi-Stimuli Activation. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Manzoor Ahmad, Toby G Johnson, Martin Flerin, Fernanda Duarte, Matthew J Langton
Responsive Anionophores with AND Logic Multi-Stimuli Activation. Angewandte Chemie (International ed. in English) (2024)
Jeff M Van Raden, Jie-Ren Deng, Henrik Gotfredsen, Janko Hergenhahn, Michael Clarke, Matthew Edmondson, Jack Hart, James N O'Shea, Fernanda Duarte, Alex Saywell, Harry L Anderson
Template-Directed Synthesis of Strained meso-meso-Linked Porphyrin Nanorings. Angewandte Chemie (International ed. in English) 63 (14) (2024)
Veronika Juraskova, Gers Tusha, Hanwen Zhang, Lars V Schäfer, Fernanda Duarte
Modelling ligand exchange in metal complexes with machine learning potentials. Faraday discussions (2024)
H T Henry Chan, Lennart Brewitz, Petra Lukacik, Claire Strain-Damerell, Martin Austin Walsh, Christopher J Schofield, Fernanda Duarte
Studies on the selectivity of the SARS-CoV-2 papain-like protease reveal the importance of the P2' proline of the viral polyprotein. RSC chemical biology 5 (2) (2023)
H T Henry Chan, Ana Sofia F Oliveira, Christopher J Schofield, Adrian J Mulholland, Fernanda Duarte
Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease. JACS Au 3 (6) (2023)
Tomasz K Piskorz, Vicente Martí-Centelles, Rebecca L Spicer, Fernanda Duarte, Paul J Lusby
Picking the lock of coordination cage catalysis. Chemical science 14 (41) (2023)
Zonghua Bo, Zhong Hui Lim, Fernanda Duarte, Hagan Bayley, Yujia Qing
Mobile Molecules: Reactivity Profiling Guides Faster Movement on a Cysteine Track. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (21) (2023)
Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Branislav Ferko, Alistair J M Farley, Kirsten E Christensen, Fernanda Duarte, Ken Yamazaki, Darren J Dixon
Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters. Nature chemistry 15 (5) (2023)
Zonghua Bo, Zhong Hui Lim, Fernanda Duarte, Hagan Bayley, Yujia Qing
Mobile Molecules: Reactivity Profiling Guides Faster Movement on a Cysteine Track. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (21) (2023)
H T Henry Chan, Ana Sofia F Oliveira, Christopher J Schofield, Adrian J Mulholland, Fernanda Duarte
Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease. JACS Au 3 (6) (2023)
Adam M Thomas, Marta Serafini, Emma K Grant, Edward A J Coombs, Joseph P Bluck, Matthias Schiedel, Michael A McDonough, Jessica K Reynolds, Bernadette Lee, Michael Platt, Vassilena Sharlandjieva, Philip Charles Biggin, Fernanda Duarte, Thomas A Milne, Jacob T Bush, Stuart J Conway
Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation. ACS chemical biology (2023)
Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Branislav Ferko, Alistair J M Farley, Kirsten E Christensen, Fernanda Duarte, Ken Yamazaki, Darren J Dixon
Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters. Nature chemistry 15 (5) (2023)
Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Branislav Ferko, Alistair J M Farley, Kirsten E Christensen, Fernanda Duarte, Ken Yamazaki, Darren J Dixon
Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters. Nature chemistry (2023)
H T Henry Chan, Lennart Brewitz, Petra Lukacik, Claire Strain-Damerell, Martin Austin Walsh, Christopher J Schofield, Fernanda Duarte
Studies on the selectivity of the SARS-CoV-2 papain-like protease reveal the importance of the P2' proline of the viral polyprotein. RSC chemical biology 5 (2) (2023)
Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Branislav Ferko, Alistair J M Farley, Kirsten E Christensen, Fernanda Duarte, Ken Yamazaki, Darren J Dixon
Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters. Nature chemistry 15 (5) (2023)
H T Henry Chan, Ana Sofia F Oliveira, Christopher J Schofield, Adrian J Mulholland, Fernanda Duarte
Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease. JACS Au 3 (6) (2023)
Maryne A J Dubois, Juan J Rojas, Alistair J Sterling, Hannah C Broderick, Milo A Smith, Andrew J P White, Philip W Miller, Chulho Choi, James J Mousseau, Fernanda Duarte, James A Bull
Visible Light Photoredox-Catalyzed Decarboxylative Alkylation of 3-Aryl-Oxetanes and Azetidines via Benzylic Tertiary Radicals and Implications of Benzylic Radical Stability. The Journal of organic chemistry (2023)
H T Henry Chan, Ana Sofia F Oliveira, Christopher J Schofield, Adrian J Mulholland, Fernanda Duarte
Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease. JACS Au 3 (6) (2023)
Henrik Gotfredsen, Jie-Ren Deng, Jeff M Van Raden, Marcello Righetto, Janko Hergenhahn, Michael Clarke, Abigail Bellamy-Carter, Jack Hart, James O'Shea, Timothy D W Claridge, Fernanda Duarte, Alex Saywell, Laura M Herz, Harry L Anderson
Bending a photonic wire into a ring. Nature chemistry (2022)
Angelina R Sekirnik, Jessica K Reynolds, Larissa See, Joseph P Bluck, Amy R Scorah, Cynthia Tallant, Bernadette Lee, Katarzyna B Leszczynska, Rachel L Grimley, R Ian Storer, Marta Malattia, Sara Crespillo, Sofia Caria, Stephanie Duclos, Eva-Leonne Göttgens, Stefan Knapp, Garrett M Morris, Fernanda Duarte, Philip Charles Biggin, Stuart J Conway
Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33α and TRIM33β Bromodomains. ACS chemical biology 17 (10) (2022)
Veronica Ideböhn, Alistair J Sterling, Måns Wallner, Emelie Olsson, Richard J Squibb, Ugne Miniotaite, Emma Forsmalm, Malin Forsmalm, Stefano Stranges, John M Dyke, Fernanda Duarte, John H D Eland, Raimund Feifel
Single photon double and triple ionization of allene. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Tom A Young, Tristan Johnston-Wood, Hanwen Zhang, Fernanda Duarte
Reaction dynamics of Diels-Alder reactions from machine learned potentials. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Kun Ho Kenny Park, Nils Frank, Fernanda Duarte, Edward A Anderson
Collective Synthesis of Illudalane Sesquiterpenes via Cascade Inverse Electron Demand (4 + 2) Cycloadditions of Thiophene S , S -Dioxides. Journal of the American Chemical Society 144 (22) (2022)
Tomasz K Piskorz, Vicente Martí-Centelles, Tom A Young, Paul J Lusby, Fernanda Duarte
Computational Modeling of Supramolecular Metallo-organic Cages-Challenges and Opportunities. ACS catalysis 12 (10) (2022)
Juan J Rojas, Rosemary A Croft, Alistair J Sterling, Edward L Briggs, Daniele Antermite, Daniel C Schmitt, Luka Blagojevic, Peter Haycock, Andrew J P White, Fernanda Duarte, Chulho Choi, James J Mousseau, James A Bull
Amino-oxetanes as amide isosteres by an alternative defluorosulfonylative coupling of sulfonyl fluorides. Nature chemistry 14 (2) (2022)
Nils Frank, Jeremy Nugent, Bethany R Shire, Helena D Pickford, Patrick Rabe, Alistair J Sterling, Tryfon Zarganes-Tzitzikas, Thomas Grimes, Amber L Thompson, Russell C Smith, Christopher J Schofield, Paul E Brennan, Fernanda Duarte, Edward A Anderson
Synthesis of meta-substituted arene bioisosteres from [3.1.1]propellane. Nature 611 (7937) (2022)
Tom A Young, Tristan Johnston-Wood, Volker L Deringer, Fernanda Duarte
A transferable active-learning strategy for reactive molecular force fields. Chemical science 12 (32) (2021)
Marie L J Wong, Alistair J Sterling, James J Mousseau, Fernanda Duarte, Edward A Anderson
Direct catalytic asymmetric synthesis of α-chiral bicyclo[1.1.1]pentanes. Nature communications 12 (1) (2021)
Tika R Malla, Anthony Tumber, Tobias John, Lennart Brewitz, Claire Strain-Damerell, C David Owen, Petra Lukacik, H T Henry Chan, Pratheesh Maheswaran, Eidarus Salah, Fernanda Duarte, Haitao Yang, Zihe Rao, Martin Austin Walsh, Christopher J Schofield
Mass spectrometry reveals potential of β-lactams as SARS-CoV-2 Mpro inhibitors. Chemical communications (Cambridge, England) 57 (12) (2021)
Aidan Kerckhoffs, Zonghua Bo, Samuel E Penty, Fernanda Duarte, Matthew J Langton
Red-shifted tetra-ortho-halo-azobenzenes for photo-regulated transmembrane anion transport. Organic & biomolecular chemistry 19 (41) (2021)
Sarah Livesley, Alistair J Sterling, Craig M Robertson, William R F Goundry, James A Morris, Fernanda Duarte, Christophe Aïssa
Electrophilic Activation of [1.1.1]Propellane for the Synthesis of Nitrogen-Substituted Bicyclo[1.1.1]pentanes. Angewandte Chemie (International ed. in English) (2021)
Laura E Bickerton, Andrew Docker, Alistair J Sterling, Heike Kuhn, Fernanda Duarte, Paul D Beer, Matthew J Langton
Highly Active Halogen Bonding and Chalcogen Bonding Chloride Transporters with Non-Protonophoric Activity. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (45) (2021)
H T Henry Chan, Marc A Moesser, Rebecca K Walters, Tika R Malla, Rebecca M Twidale, Tobias John, Helen M Deeks, Tristan Johnston-Wood, Victor Mikhailov, Richard B Sessions, William Dawson, Eidarus Salah, Petra Lukacik, Claire Strain-Damerell, C David Owen, Takahito Nakajima, Katarzyna Świderek, Alessio Lodola, Vicent Moliner, David R Glowacki, James Spencer, Martin Austin Walsh, Christopher J Schofield, Luigi Genovese, Deborah K Shoemark, Adrian J Mulholland, Fernanda Duarte, Garrett M Morris
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding. Chemical science 12 (41) (2021)
Jianzhu Wang, Tom A Young, Fernanda Duarte, Paul J Lusby
Synergistic Noncovalent Catalysis Facilitates Base-Free Michael Addition. Journal of the American Chemical Society 142 (41) (2020)
Tom A Young, Razvan Gheorghe, Fernanda Duarte
cgbind: A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization. Journal of chemical information and modeling 60 (7) (2020)
Thomas Q Davies, Michael J Tilby, Jack Ren, Nicholas A Parker, David Skolc, Adrian Hall, Fernanda Duarte, Michael C Willis
Harnessing Sulfinyl Nitrenes: A Unified One-Pot Synthesis of Sulfoximines and Sulfonimidamides. Journal of the American Chemical Society 142 (36) (2020)
Jamie A Leitch, Tatiana Rogova, Fernanda Duarte, Darren J Dixon
Dearomative Photocatalytic Construction of Bridged 1,3-Diazepanes. Angewandte Chemie (International ed. in English) 59 (10) (2020)
Tom A Young, Joseph J Silcock, Alistair J Sterling, Fernanda Duarte
autodE: Automated Calculation of Reaction Energy Profiles- Application to Organic and Organometallic Reactions. Angewandte Chemie (International ed. in English) 60 (8) (2020)
Romain Costil, Alistair J Sterling, Fernanda Duarte, Jonathan Clayden
Atropisomerism in Diarylamines: Structural Requirements and Mechanisms of Conformational Interconversion. Angewandte Chemie (International ed. in English) 59 (42) (2020)
Tom A Young, Vicente Martí-Centelles, Jianzhu Wang, Paul J Lusby, Fernanda Duarte
Rationalizing the Activity of an "Artificial Diels-Alderase": Establishing Efficient and Accurate Protocols for Calculating Supramolecular Catalysis. Journal of the American Chemical Society 142 (3) (2020)
Alessandro Bismuto, Gary S Nichol, Fernanda Duarte, Michael J Cowley, Stephen P Thomas
Characterization of the Zwitterionic Intermediate in 1,1-Carboboration of Alkynes. Angewandte Chemie (International ed. in English) 59 (31) (2020)
Laura E Bickerton, Alistair J Sterling, Paul D Beer, Fernanda Duarte, Matthew J Langton
Transmembrane anion transport mediated by halogen bonding and hydrogen bonding triazole anionophores. Chemical science 11 (18) (2020)
Rebecca L Spicer, Athanasios D Stergiou, Tom A Young, Fernanda Duarte, Mark D Symes, Paul J Lusby
Host-Guest-Induced Electron Transfer Triggers Radical-Cation Catalysis. Journal of the American Chemical Society 142 (5) (2020)
Sarah H Hewitt, Georgina Macey, Romain Mailhot, Mark R J Elsegood, Fernanda Duarte, Alan M Kenwright, Stephen J Butler
Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array. Chemical science 11 (14) (2020)
J Ciciolil Hilario-Martínez, Fernando Murillo, Jair García-Méndez, Eugenia Dzib, Jesús Sandoval-Ramírez, Miguel Ángel Muñoz-Hernández, Sylvain Bernès, László Kürti, Fernanda Duarte, Gabriel Merino, Maria A Fernandez-Herrera
trans-Hydroboration-oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism. Chemical science 11 (47) (2020)
Alistair J Sterling, Alexander B Dürr, Russell C Smith, Edward A Anderson, Fernanda Duarte
Rationalizing the diverse reactivity of [1.1.1]propellane through σ-π-delocalization. Chemical science 11 (19) (2020)
Natalie J Tatum, Fernanda Duarte, Shina Caroline Lynn Kamerlin, Ehmke Pohl
Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. The journal of physical chemistry letters 10 (9) (2019)
Roly J Armstrong, Wasim M Akhtar, Tom A Young, Fernanda Duarte, Timothy J Donohoe
Catalytic Asymmetric Synthesis of Cyclohexanes by Hydrogen Borrowing Annulations. Angewandte Chemie (International ed. in English) 58 (36) (2019)
Qingshu Zheng, Stefan Borsley, Gary S Nichol, Fernanda Duarte, Scott L Cockroft
The Energetic Significance of Metallophilic Interactions. Angewandte Chemie (International ed. in English) 58 (36) (2019)
Kiran Kumar, Shin M Woo, Thomas Siu, Wilian A Cortopassi, Fernanda Duarte, Robert S Paton
Cation-π interactions in protein-ligand binding: theory and data-mining reveal different roles for lysine and arginine. Chemical science 9 (10) (2018)
Nicholas J Green, Catherine A Connolly, Koen P W Rietdijk, Gary S Nichol, Fernanda Duarte, Andrew L Lawrence
Bio-inspired Domino oxa-Michael/Diels-Alder/oxa-Michael Dimerization of para-Quinols. Angewandte Chemie (International ed. in English) 57 (21) (2018)
David M H Ascough, Fernanda Duarte, Robert S Paton
Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored by NH···π Interactions. Journal of the American Chemical Society 140 (48) (2018)
Irene De Silvestro, Samuel L Drew, Gary S Nichol, Fernanda Duarte, Andrew L Lawrence
Total Synthesis of a Dimeric Thymol Derivative Isolated from Arnica sachalinensis. Angewandte Chemie (International ed. in English) 56 (24) (2017)
Fernanda Duarte, Robert S Paton
Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization. Journal of the American Chemical Society 139 (26) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Fernanda Duarte