The irony of chirality - unveiling the distinct mechanistic binding and activities of 1-(3-(4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl)prop-2-en-1-one enantiomers as irreversible covalent FGFR4 inhibitors
Badichi Akher, Farideh, Farrokhzadeh, Abdolkarim, Olotu, Fisayo A, Agoni, Clement, Soliman, Mahmoud E S
Published in Organic & biomolecular chemistry (31.01.2019)
Published in Organic & biomolecular chemistry (31.01.2019)
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Journal Article
Nerve Growth Factor‐Binding Engineered Silk Films Promote Neuronal Attachment and Neurite Outgrowth
Baker, Lizzy A., Xu, Lingling, Badichi Akher, Farideh, Robertson, Madelaine K., Pugsley‐DeBruyn, Lauren, Ma, Chloe Xiaoyi, Liu, Xiang‐Qin, Frampton, John P., Rainey, Jan K.
Published in Advanced functional materials (01.11.2022)
Published in Advanced functional materials (01.11.2022)
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Journal Article
Impact of HEC72702 chirality on the selective inhibition of hepatitis B virus capsid dimer: A dynamics–structure–energetics perspective
Farrokhzadeh, Abdolkarim, Badichi Akher, Farideh, Olotu, Fisayo A., Van Heerden, Fanie R.
Published in Chemical biology & drug design (01.01.2021)
Published in Chemical biology & drug design (01.01.2021)
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Journal Article
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5 A′ States and Fourteen Coupled 3 A′ States of O + O2
Shu, Yinan, Akher, Farideh Badichi, Guo, Hua, Truhlar, Donald G.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
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Journal Article
Semiclassical Multistate Dynamics for Six Coupled 5A′ States of O + O2
Akher, Farideh Badichi, Shu, Yinan, Varga, Zoltan, Truhlar, Donald G
Published in Journal of chemical theory and computation (25.07.2023)
Published in Journal of chemical theory and computation (25.07.2023)
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Journal Article
Semiclassical Multistate Dynamics for Six Coupled 5 A′ States of O + O2
Akher, Farideh Badichi, Shu, Yinan, Varga, Zoltan, Truhlar, Donald G.
Published in Journal of chemical theory and computation (25.07.2023)
Published in Journal of chemical theory and computation (25.07.2023)
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Journal Article
Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential
Akher, Farideh Badichi, Shu, Yinan, Varga, Zoltan, Bhaumik, Suman, Truhlar, Donald G.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2023)
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Journal Article
Molecular Mechanism Exploration of Potent Fluorinated PI3K Inhibitors with a Triazine Scaffold: Unveiling the Unusual Synergistic Effect of Pyridine-to-Pyrimidine Ring Interconversion and CF 3 Defluorination
Farrokhzadeh, Abdolkarim, Akher, Farideh Badichi, Egan, Timothy J.
Published in The journal of physical chemistry. B (16.09.2021)
Published in The journal of physical chemistry. B (16.09.2021)
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Journal Article
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5 A ' States and Fourteen Coupled 3 A ' States of O + O 2
Shu, Yinan, Akher, Farideh Badichi, Guo, Hua, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
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Journal Article
Semiclassical Multistate Dynamics for Six Coupled 5 A ' States of O + O 2
Akher, Farideh Badichi, Shu, Yinan, Varga, Zoltan, Truhlar, Donald G
Published in Journal of chemical theory and computation (25.07.2023)
Published in Journal of chemical theory and computation (25.07.2023)
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Journal Article
Effect of substituent and π-stacking interaction on the metal chelation ability of 7-subestituted 2-oxyisoquinoline-1,3(2H,4H)-diones as an HIV integrase inhibitor: A DFT study
Akher, Farideh Badichi, Farrokhzadeh, Abdolkarim, Honarparvar, Bahareh
Published in Journal of molecular structure (05.01.2019)
Published in Journal of molecular structure (05.01.2019)
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Journal Article
Molecular Mechanism Exploration of Potent Fluorinated PI3K Inhibitors with a Triazine Scaffold: Unveiling the Unusual Synergistic Effect of Pyridine-to-Pyrimidine Ring Interconversion and CF3 Defluorination
Farrokhzadeh, Abdolkarim, Akher, Farideh Badichi, Egan, Timothy J
Published in The journal of physical chemistry. B (16.09.2021)
Published in The journal of physical chemistry. B (16.09.2021)
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Journal Article
Deciphering the Mechanism of Binding Selectivity of Chlorofluoroacetamide-Based Covalent Inhibitors toward L858R/T790M Resistance Mutation
Akher, Farideh Badichi, Farrokhzadeh, Abdolkarim, Ravenscroft, Neil, Kuttel, Michelle M
Published in Journal of chemical information and modeling (28.02.2022)
Published in Journal of chemical information and modeling (28.02.2022)
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Journal Article
π-Stacking effects on the hydrogen bonding capacity of methyl 2-naphthoate
Akher, Farideh Badichi, Ebrahimi, Ali
Published in Journal of molecular graphics & modelling (01.09.2015)
Published in Journal of molecular graphics & modelling (01.09.2015)
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Journal Article
Mechanistic Study of Potent Fluorinated EGFR Kinase Inhibitors with a Quinazoline Scaffold against L858R/T790M/C797S Resistance Mutation: Unveiling the Fluorine Substituent Cooperativity Effect on the Inhibitory Activity
Akher, Farideh Badichi, Farrokhzadeh, Abdolkarim, Ravenscroft, Neil, Kuttel, Michelle M
Published in The journal of physical chemistry. B (16.07.2020)
Published in The journal of physical chemistry. B (16.07.2020)
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Journal Article
Characterization of π-stacking interactions between aromatic amino acids and quercetagetin
Akher, Farideh Badichi, Ebrahimi, Ali, Mostafavi, Najmeh
Published in Journal of molecular structure (15.01.2017)
Published in Journal of molecular structure (15.01.2017)
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Journal Article
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5A' States and Fourteen Coupled 3A' States of O + O2
Shu, Yinan, Akher, Farideh Badichi, Guo, Hua, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.02.2024)
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Journal Article
Investigation of the unusually high rotational energy barrier about the C-N bond in 5-(2-x-phenyl)-N,N-dimethyl-2H-tetrazole-2-carboxamides: Insights from dynamic 1H-NMR and DFT calculations
Farrokhzadeh, Abdolkarim, Modarresi-Alam, Ali Reza, Akher, Farideh Badichi, Kleinpeter, Erich, Kelling, Alexandra, Schilde, Uwe
Published in Journal of molecular structure (15.02.2021)
Published in Journal of molecular structure (15.02.2021)
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Journal Article