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TITLE: Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease
AUTHORS: Henry T H Chan; Sofia S F Oliveira; Christopher J Schofield; Adrian J Mulholland; Fernanda Duarte;
PUBLISHED: 2023, SOURCE: JACS Au, VOLUME: 3, ISSUE: 6
INDEXED IN: Scopus CrossRef: 1
IN MY: ORCID
22
TITLE: SARS-CoV-2 spike variants differ in their allosteric responses to linoleic acid
AUTHORS: Sofia S F Oliveira; Deborah K Shoemark; Andrew D Davidson; Imre Berger; Christiane Schaffitzel; Adrian J Mulholland;
PUBLISHED: 2023, SOURCE: Journal of Molecular Cell Biology, VOLUME: 15, ISSUE: 3
INDEXED IN: Scopus CrossRef: 6
IN MY: ORCID
23
TITLE: #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
AUTHORS: Abigail Dommer; Lorenzo Casalino; Fiona Kearns; Mia Rosenfeld; Nicholas Wauer; Surl Hee Ahn; John Russo; Sofia Oliveira; Clare Morris; Anthony Bogetti; Anda Trifan; Alexander Brace; Terra Sztain; Austin Clyde; Heng Ma; Chakra Chennubhotla; Hyungro Lee; Matteo Turilli; Syma Khalid; Teresa Tamayo Mendoza; Matthew Welborn; Anders Christensen; Daniel G A Smith; Zhuoran Qiao; Sai K Sirumalla; Michael O’Connor; Frederick Manby; Anima Anandkumar; David Hardy; James Phillips; Abraham Stern; Josh Romero; David Clark; Mitchell Dorrell; Tom Maiden; Lei Huang; John McCalpin; Christopher Woods; Alan Gray; Matt Williams; Bryan Barker; Harinda Rajapaksha; Richard Pitts; Tom Gibbs; John Stone; Daniel M Zuckerman; Adrian J Mulholland; Thomas Miller; Shantenu Jha; Arvind Ramanathan; Lillian Chong; Rommie E Amaro; ...More
PUBLISHED: 2023, SOURCE: International Journal of High Performance Computing Applications, VOLUME: 37, ISSUE: 1
INDEXED IN: Scopus CrossRef: 32
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24
TITLE: Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease
AUTHORS: Henry T H Chan; Sofia S F Oliveira; Christopher J Schofield; Adrian J Mulholland; Fernanda Duarte;
PUBLISHED: 2023, SOURCE: JACS Au, VOLUME: 3, ISSUE: 6
INDEXED IN: CrossRef: 10
IN MY: ORCID
25
TITLE: Decrypting the languages of allostery in membrane-bound K-Ras4B using four complementaryin silicoapproaches
AUTHORS: Matteo Castelli; Filippo Marchetti; Sílvia Osuna; Sofia S F. Oliveira; Adrian J Mulholland; Stefano A Serapian; Giorgio Colombo;
PUBLISHED: 2023
INDEXED IN: CrossRef
IN MY: ORCID
26
TITLE: Publisher Correction: The chloroplast protein HCF164 is predicted to be associated with Coffea SH9 resistance factor against Hemileia vastatrix  Full Text
AUTHORS: Leonor Guerra-Guimarães; Carla Pinheiro; Ana Sofia F Oliveira; Andrea Mira-Jover; Javier Valverde; Fernanda de d F Guedes; Herlander Azevedo; Vitor Várzea; Antonio Jesús Muñoz Pajares;
PUBLISHED: 2023, SOURCE: Scientific Reports, VOLUME: 13, ISSUE: 1
INDEXED IN: CrossRef
IN MY: ORCID
27
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; Imre Berger; Christiane Schaffitzel; Andrew D Davidson; Rommie E Amaro; Adrian J Mulholland;
PUBLISHED: 2023
INDEXED IN: CrossRef: 1
IN MY: ORCID
29
TITLE: Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2
AUTHORS: Kapil Gupta; Christine Toelzer; Maia Kavanagh Williamson; Deborah K Shoemark; Sofia S F Oliveira; David A Matthews; Abdulaziz Almuqrin; Oskar Staufer; Sathish K N Yadav; Ufuk Borucu; Frederic Garzoni; Daniel Fitzgerald; Joachim Spatz; Adrian J Mulholland; Andrew D Davidson; Christiane Schaffitzel; Imre Berger;
PUBLISHED: 2022, SOURCE: Nature Communications, VOLUME: 13, ISSUE: 1
INDEXED IN: Scopus CrossRef: 27
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30
TITLE: A Functional Interaction Between Y674-R685 Region of the SARS-CoV-2 Spike Protein and the Human α7 Nicotinic Receptor  Full Text
AUTHORS: Juan Facundo Chrestia; Ana Sofia Oliveira; Adrian J Mulholland; Timothy Gallagher; Isabel Bermúdez; Cecilia Bouzat;
PUBLISHED: 2022, SOURCE: Molecular Neurobiology, VOLUME: 59, ISSUE: 10
INDEXED IN: Scopus CrossRef: 14
IN MY: ORCID
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