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
5
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
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
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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: 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
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TITLE: Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations Full Text
AUTHORS: Matteo Castelli; Filippo Marchetti; Sílvia Osuna; Sofia S F Oliveira; Adrian J Mulholland; Stefano A Serapian; Giorgio Colombo;
PUBLISHED: 2024, SOURCE: Journal of the American Chemical Society, VOLUME: 146, ISSUE: 1
AUTHORS: Matteo Castelli; Filippo Marchetti; Sílvia Osuna; Sofia S F Oliveira; Adrian J Mulholland; Stefano A Serapian; Giorgio Colombo;
PUBLISHED: 2024, SOURCE: Journal of the American Chemical Society, VOLUME: 146, ISSUE: 1
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TITLE: Fluctuation Relations to Calculate Protein Redox Potentials from Molecular Dynamics Simulations Full Text
AUTHORS: Oliveira A.S.F.; Rubio J.; Noble C.E.M.; Anderson J.L.R.; Anders J.; Mulholland A.J.;
PUBLISHED: 2024, SOURCE: Journal of Chemical Theory and Computation, VOLUME: 20, ISSUE: 1
AUTHORS: Oliveira A.S.F.; Rubio J.; Noble C.E.M.; Anderson J.L.R.; Anders J.; Mulholland A.J.;
PUBLISHED: 2024, SOURCE: Journal of Chemical Theory and Computation, VOLUME: 20, ISSUE: 1
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TITLE: Delineating redox cooperativity in water-soluble and membrane multiheme cytochromes through protein design
AUTHORS: Benjamin J Hardy; Paulina Dubiel; Ethan L Bungay; May Rudin; Christopher Williams; Christopher J Arthur; Matthew J Guberman-Pfeffer; Sofia S Oliveira; Paul Curnow; Ross L R Anderson;
PUBLISHED: 2024
AUTHORS: Benjamin J Hardy; Paulina Dubiel; Ethan L Bungay; May Rudin; Christopher Williams; Christopher J Arthur; Matthew J Guberman-Pfeffer; Sofia S Oliveira; Paul Curnow; Ross L R Anderson;
PUBLISHED: 2024
