Ana Sofia Fernandes de Oliveira
AuthID: R-000-1GG
1
TITLE: Dynamical nonequilibrium molecular dynamics simulations reveal allosteric networks, signal transduction mechanisms, and sites associated with drug resistance in biomolecular systems Full Text
AUTHORS: Balazs Balega; Michael Beer; James Spencer; Giorgio Colombo; Stefano A Serapian; Sofia S F Oliveira; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: Molecular Physics, VOLUME: 123, ISSUE: 7-8
AUTHORS: Balazs Balega; Michael Beer; James Spencer; Giorgio Colombo; Stefano A Serapian; Sofia S F Oliveira; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: Molecular Physics, VOLUME: 123, ISSUE: 7-8
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TITLE: Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike
AUTHORS: Sofia S F Oliveira; Fiona L Kearns; Mia A Rosenfeld; Lorenzo Casalino; Lorenzo Tulli; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025
AUTHORS: Sofia S F Oliveira; Fiona L Kearns; Mia A Rosenfeld; Lorenzo Casalino; Lorenzo Tulli; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025
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TITLE: Allosteric modulation by the fatty acid site in the glycosylated SARS-CoV-2 spike
AUTHORS: Sofia S F Oliveira; Fiona L Kearns; Mia A Rosenfeld; Lorenzo Casalino; Lorenzo Tulli; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: eLife, VOLUME: 13
AUTHORS: Sofia S F Oliveira; Fiona L Kearns; Mia A Rosenfeld; Lorenzo Casalino; Lorenzo Tulli; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: eLife, VOLUME: 13
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TITLE: Structural Insights into Bortezomib-Induced Activation of the Caseinolytic Chaperone-Protease System in Mycobacterium tuberculosis
AUTHORS: Biao Zhou; Yamin Gao; Heyu Zhao; Banghui Liu; Han Zhang; Cuiting Fang; Hang Yuan; Jingjing Wang; Zimu Li; Yi Zhao; Xiaodong Huang; Xiyue Wang; Sofia S F Oliveira; James Spencer; Adrian J Mulholland; Steven G Burston; Jinxing Hu; Ning Su; Xinwen Chen; Jun He; ...More
PUBLISHED: 2025, SOURCE: Nature Communications, VOLUME: 16, ISSUE: 1
AUTHORS: Biao Zhou; Yamin Gao; Heyu Zhao; Banghui Liu; Han Zhang; Cuiting Fang; Hang Yuan; Jingjing Wang; Zimu Li; Yi Zhao; Xiaodong Huang; Xiyue Wang; Sofia S F Oliveira; James Spencer; Adrian J Mulholland; Steven G Burston; Jinxing Hu; Ning Su; Xinwen Chen; Jun He; ...More
PUBLISHED: 2025, SOURCE: Nature Communications, VOLUME: 16, ISSUE: 1
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TITLE: Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment Full Text
AUTHORS: Emily Lythell; Jack Badley; Reynier Suardíaz; Catherine R Gurr; Catherine L Tooke; Philip Hinchliffe; Sofia S F Oliveira; Marc W Van der Kamp; James Spencer; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: Journal of Chemical Information and Modeling, VOLUME: 65, ISSUE: 15
AUTHORS: Emily Lythell; Jack Badley; Reynier Suardíaz; Catherine R Gurr; Catherine L Tooke; Philip Hinchliffe; Sofia S F Oliveira; Marc W Van der Kamp; James Spencer; Adrian J Mulholland;
PUBLISHED: 2025, SOURCE: Journal of Chemical Information and Modeling, VOLUME: 65, ISSUE: 15
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TITLE: Bridged Azobenzene Exhibits Fully Reversible Photocontrolled Binding to a G-Quadruplex DNA/Duplex Junction
AUTHORS: Javier Ramos Soriano; Jennifer J Jiang; Bowen Deng; Michael P O′Hagan; Aditya G Rao; Doudou Lu; Susanta Haldar; Sofia S F Oliveira; Adrian J Mulholland; Carmen C Galan;
PUBLISHED: 2025, SOURCE: Jacs Au, VOLUME: 5, ISSUE: 8
AUTHORS: Javier Ramos Soriano; Jennifer J Jiang; Bowen Deng; Michael P O′Hagan; Aditya G Rao; Doudou Lu; Susanta Haldar; Sofia S F Oliveira; Adrian J Mulholland; Carmen C Galan;
PUBLISHED: 2025, SOURCE: Jacs Au, VOLUME: 5, ISSUE: 8
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TITLE: Understanding varenicline function via key receptor and ligand interactions
AUTHORS: Sheenagh G Aiken; Daniele Fiorito; Matthew Harper; Grzegorz Pikus; Juno Underhill; Jacob Murray; Joshua Rawlinson; AnnMarie C O’Donoghue; Cecilia Gotti; Sarah C.R Lummis; Teresa Minguez Viñas; Franco Viscarra; Isabel Bermudez; Timothy Gallagher; Sofia S F Oliveira;
PUBLISHED: 2025, SOURCE: Cell Reports Physical Science, VOLUME: 6, ISSUE: 12
AUTHORS: Sheenagh G Aiken; Daniele Fiorito; Matthew Harper; Grzegorz Pikus; Juno Underhill; Jacob Murray; Joshua Rawlinson; AnnMarie C O’Donoghue; Cecilia Gotti; Sarah C.R Lummis; Teresa Minguez Viñas; Franco Viscarra; Isabel Bermudez; Timothy Gallagher; Sofia S F Oliveira;
PUBLISHED: 2025, SOURCE: Cell Reports Physical Science, VOLUME: 6, ISSUE: 12
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TITLE: pH-induced structural changes in SARS-CoV-2 spike variants
AUTHORS: Sofia S F Oliveira; Lorenzo Tulli; Fiona L Kearns; Lorenzo Casalino; Mia A Rosenfeld; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Allen E Haddrell; Jonathan P Reid; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025
AUTHORS: Sofia S F Oliveira; Lorenzo Tulli; Fiona L Kearns; Lorenzo Casalino; Mia A Rosenfeld; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Allen E Haddrell; Jonathan P Reid; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2025
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TITLE: A dynamical-nonequilibrium molecular dynamics (D-NEMD) alanine scanning approach for identifying allosteric positions in proteins
AUTHORS: Balazs Balega; Michael Beer; Dan T.S Pike; James Spencer; Sofia S F Oliveira; Adrian J Mulholland;
PUBLISHED: 2025
AUTHORS: Balazs Balega; Michael Beer; Dan T.S Pike; James Spencer; Sofia S F Oliveira; Adrian J Mulholland;
PUBLISHED: 2025
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TITLE: Signal Propagation in the ATPase Domain of Mycobacterium tuberculosis DNA Gyrase from Dynamical-Nonequilibrium Molecular Dynamics Simulations Full Text
AUTHORS: Bundit Kamsri; Pharit Kamsri; Auradee Punkvang; Aunlika Chimprasit; Patchreenart Saparpakorn; Supa Hannongbua; James Spencer; Sofia S F Oliveira; Adrian J Mulholland; Pornpan Pungpo;
PUBLISHED: 2024, SOURCE: Biochemistry, VOLUME: 63, ISSUE: 11
AUTHORS: Bundit Kamsri; Pharit Kamsri; Auradee Punkvang; Aunlika Chimprasit; Patchreenart Saparpakorn; Supa Hannongbua; James Spencer; Sofia S F Oliveira; Adrian J Mulholland; Pornpan Pungpo;
PUBLISHED: 2024, SOURCE: Biochemistry, VOLUME: 63, ISSUE: 11
