Supplemental material
Journal of Biomolecular Structure and Dynamics
Volume 40, 2022 - Issue 23
Research Articles
Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective
Kandasamy Saravanana Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem, India;b Faculty of Chemistry, University of Warsaw, Warsaw, Poland
https://orcid.org/0000-0002-1672-2249
https://orcid.org/0000-0002-1672-2249, Srinivasan Sugarthic Department of Physics and Nanotechnology, SRM Institute of Science and Technology, Kattankulathur, Kancheepuram, Indiahttps://orcid.org/0000-0002-2247-1730
https://orcid.org/0000-0002-2247-1730, Suresh Suganyaa Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem, Indiahttps://orcid.org/0000-0003-3198-8309
https://orcid.org/0000-0003-3198-8309 & Poomani Kumaradhasa Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem, IndiaCorrespondence[email protected]
https://orcid.org/0000-0001-6322-1909
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Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective
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