Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods von Choudhury, Chinmayee, Arul Murugan, N., Priyakumar, U. Deva

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Cross-interaction of tau PET tracers with monoamine oxidase B: evidence from in silico modelling and in vivo imaging von Murugan, N. Arul, Chiotis, Konstantinos, Rodriguez-Vieitez, Elena, Lemoine, Laetitia, Ågren, Hans, Nordberg, Agneta

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Artificial intelligence in virtual screening: Models versus experiments von Arul Murugan, N., Ruba Priya, Gnana, Narahari Sastry, G., Markidis, Stefano

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Molecular basis for stereoselective transport of fenoterol by the organic cation transporters 1 and 2 von Gebauer, Lukas, Arul Murugan, N., Jensen, Ole, Brockmöller, Jürgen, Rafehi, Muhammad

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Antioxidant Berberine-Derivative Inhibits Multifaceted Amyloid Toxicity von Rajasekhar, Kolla, Samanta, Sourav, Bagoband, Vardhaman, Murugan, N. Arul, Govindaraju, Thimmaiah

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Role of Amyloidogenic and Non‐Amyloidogenic Protein Spaces in Neurodegenerative Diseases and their Mitigation Using Theranostic Agents von Suri, Kapali, Ramesh, Madhu, Bhandari, Mansi, Gupta, Vishakha, Kumar, Virendra, Govindaraju, Thimmaiah, Murugan, N. Arul

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Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling von Murugan, N. Arul, Nordberg, Agneta, Ågren, Hans

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2-Methoxy-4-formylphenol suppresses methylglyoxal glycation mediated structural alterations and esterase activity of hemoglobin – A multi spectroscopic, biophysical and in-silico s... von P., Esackimuthu, Jeevanandam, Jayanth, Kumar, Bhuvana, N., Arul Murugan, N.T., Saraswathi

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Recognition of G-quadruplex topology through hybrid binding with implications in cancer theranostics von Suseela, Yelisetty Venkata, Satha, Pardhasaradhi, Murugan, N. Arul, Govindaraju, Thimmaiah

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Unusual binding-site-specific photophysical properties of a benzothiazole-based optical probe in amyloid beta fibrils von Arul Murugan, N, Zaleśny, Robert, Ågren, Hans

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On/off-switchable LSPR nano-immunoassay for troponin-T von Ashaduzzaman, Md, Deshpande, Swapneel R., Murugan, N. Arul, Mishra, Yogendra Kumar, Turner, Anthony P. F., Tiwari, Ashutosh

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Computational investigation of the increased virulence and pathogenesis of SARS-CoV-2 lineage B.1.1.7 von Murugan, N. Arul, Javali, Prashanth S, Pandianb, Chitra Jeyaraj, Ali, Muhammad Akhtar, Srivastava, Vaibhav, Jeyaraman, Jeyakanthan

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Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement von Mudedla, Sathish Kumar, Murugan, N. Arul, Agren, Hans

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Thiophene‐Based Dual Modulators of Aβ and Tau Aggregation von Ramesh, Madhu, Acharya, Anand, Murugan, N. Arul, Ila, Hiriyakkanavar, Govindaraju, Thimmaiah

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Cryptic Sites in Tau Fibrils Explain the Preferential Binding of the AV-1451 PET Tracer toward Alzheimer’s Tauopathy von Murugan, N. Arul, Nordberg, Agneta, Ågren, Hans

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Modeling the Structure and Absorption Spectra of Stilbazolium Merocyanine in Polar and Nonpolar Solvents Using Hybrid QM/MM Techniques von Arul Murugan, N, Kongsted, Jacob, Rinkevicius, Zilvinas, Aidas, Kestutis, Ågren, Hans

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Correction: Computational investigation of the increased virulence and pathogenesis of SARS-CoV-2 lineage B.1.1.7 von Murugan, N. Arul, Javali, Prashanth S, Pandianb, Chitra Jeyaraj, Ali, Muhammad Akhtar, Srivastava, Vaibhav, Jeyaraman, Jeyakanthan

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Breakdown of the first hyperpolarizability/bond-length alternation parameter relationship von Murugan, N. Arul, Kongsted, Jacob, Rinkevicius, Zilvinas, Ågren, Hans

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Author Correction: On/off-switchable LSPR nano-immunoassay for troponin-T von Ashaduzzaman, Md, Deshpande, Swapneel R., Murugan, N. Arul, Mishra, Yogendra Kumar, Turner, Anthony P. F., Tiwari, Ashutosh

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Acetylene-sourced CVD-synthesised catalytically active graphene for electrochemical biosensing von Osikoya, Adeniyi Olugbenga, Parlak, Onur, Murugan, N. Arul, Dikio, Ezekiel Dixon, Moloto, Harry, Uzun, Lokman, Turner, Anthony PF, Tiwari, Ashutosh

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