Items where Subject is "Molecular simulation"

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Akher, Farideh Badichi and Farrokhzadeh, Abdolkarim and Ravenscroft, Neil and Kuttel, Michelle (2019) A Mechanistic Study of a Potent and Selective Epidermal Growth Factor Receptor Inhibitor against the L858R/T790M Resistance Mutation, Biochemistry, 58, 4246-4259, American Chemical Society.

Akher, Farideh Badichi and Farrokhzadeh, Abdolkarim and Ravenscroft, Neil and Kuttel, Michelle (2020) Mechanistic Study of Potent Fluorinated EGFR Kinase Inhibitors with a Quinazoline Scaffold against L858R/T790M/C797S Resistance Mutation: Unveiling the Fluorine Substituents Cooperativity Effect on the Inhibitory Activity., Journal of Physical Chemistry B, 124, 5813–5824, American Chemical Society.

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Hlozek, Jason and Owen, Sarah and Ravenscroft, Neil and Kuttel, Michelle M. (2020) Molecular Modeling of the Shigella flexneri Serogroup 3 and 5 O-Antigens and Conformational Relationships for a Vaccine Containing Serotypes 2a and 3a., Vaccines, 8, MDPI.

Hlozek, Jason and Ravenscroft, Neil and Kuttel, Michelle (2019) Modeling the conformations of Neisseria meningitidis serogroup a CPS and a carba-analogue: Implications for vaccine development, Carbohydrate Research, 486, Elsevier.

Hlozek, Jason and Ravenscroft, Neil and Kuttel, Michelle M. (2020) Effects of Glucosylation and O-Acetylation on the Conformation of Shigella flexneri Serogroup 2 O-Antigen Vaccine Targets, Journal of Physical Chemistry B, 124, 2806−2814, American Chemical Society.

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Kuttel, Michelle M. and Casadevall, Arturo and Oscarson, Stefan (2020) Cryptococcus neoformans capsular GXM conformation and epitope presentation: a molecular modelling study, Molecules, 25, MDPI.