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Journal of Biomolecular Structure & Dynamics|May 27, 2023
An in-silico approach to unravel the structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase (DAHPS): a critical enzyme for sennoside biosynthesis in Cassia angustifolia VahlKhushali Thaker, Jaimini Patoliya, Khushbu Rabadiya, et al.Journal of Biomolecular Structure & Dynamics|May 27, 2023
MAO inhibiting phytochemicals from the roots of Glycyrrhiza glabra LMonojit Bhattacharjee, Suryaa Manoharan, Umamaheswari Sathisaran, et al.Journal of Biomolecular Structure & Dynamics|June 5, 2023
Acalabrutinib as a novel hope for the treatment of breast and lung cancer: an in-silico proof of conceptKedar Khaparkhuntikar, Indrani Maji, Sunil Kumar Gupta, et al.Journal of Biomolecular Structure & Dynamics|June 5, 2023
Computational screening of natural MtbDXR inhibitors for novel anti-tuberculosis compound discoverySabrina Islam, Rahagir Salekeen, Ayesha AshrafJournal of Biomolecular Structure & Dynamics|June 6, 2023
Pharmacokinetics and drug-likeness of anti-cancer traditional Chinese medicine: molecular docking and molecular dynamics simulation studyKanwal Khan, Karma Albalawi, Muhammad Naseer Abbas, et al.Journal of Biomolecular Structure & Dynamics|June 6, 2023
Conformational dynamics of trypsin in the presence of caffeic acid: a spectroscopic and computational investigationElham Yadollahi, Behzad Shareghi, Sadegh Farhadian, et al.Journal of Biomolecular Structure & Dynamics|March 1, 2026
Immunoinformatics-based design of a multi-epitope vaccine for Marburg virusEsakkimuthu Thangamariappan, Praseetha Sivakumar, Shakti Chandra Vadhana Marimuthu, et al.Journal of Biomolecular Structure & Dynamics|March 1, 2026
Virtual screening and molecular fingerprinting for in silico designing of potential CCR5 inhibitors targeting HIV therapyMugisa Simon, Partha Sarathi Sahoo, Ssebaduka Derrick, et al.Journal of Biomolecular Structure & Dynamics|February 27, 2026
How do AI ensemble pipelines treat disorder? A head-to-head comparison on α-synucleinOrkid Coskuner-Weber, Fatma Irem Akkum, Sule Irem Caglayan, et al.Journal of Biomolecular Structure & Dynamics|November 22, 2024
MCNN-AAPT: accurate classification and functional prediction of amino acid and peptide transporters in secondary active transporters using protein language models and multi-window deep learningMuhammad Shahid Malik, Van The Le, Syed Muazzam Ali Shah, et al.Pageof 935