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Muhammad Naeem Mustafa, Pervaiz Ali Channar, Muhammad Sarfraz, Aamer Saeed, Syeda Abida Ejaz, Mubashir Aziz, Fatmah Ali Alasmary, Hanadi Yaqob Alsoqair, Hussain Raza, Song Ja Kim & Asad Hamad. (2023) Synthesis, kinetic studies and in-silico investigations of novel quinolinyl-iminothiazolines as alkaline phosphatase inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 38:1.
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Kevion K. Darmawan, Tom C. Karagiannis, Jeff G. Hughes, Darryl M. Small & Andrew Hung. (2023) Molecular modeling of lactoferrin for food and nutraceutical applications: insights from in silico techniques. Critical Reviews in Food Science and Nutrition 63:28, pages 9074-9097.
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M. Oliur Rahman, Sheikh Sunzid Ahmed, Ali S. Alqahtani, Uğur Cakilcioğlu & Mohammad Ahsanul Akbar. (2023) Insight into novel inhibitors from Sterculia urens against Cholera via pharmacoinformatics and molecular dynamics simulation approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-22.
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Hadjer Khelfaoui, Dalal Harkati, Basil A. Saleh, Natalie L. Hewitt, Radwan Alnajjar & Gamal A. El-Hiti. (2023) In-Silico Evaluation, Chemical Reactivity, and Covalent Docking Study of Various Quinazolines and Pyridopyrimidines as Inhibitors for the Epidermal Growth Factor Receptor. Polycyclic Aromatic Compounds 0:0, pages 1-26.
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Rana Muhammad Mateen, Asma Tariq, Muhammad Sohail Afzal, Muhammad Ali, Imran Tipu, Mureed Hussain, Mahjabeen Saleem & Muhammad Naveed. (2023) TULP3 NLS inhibition: an in silico study to hamper cargo transport to nucleus. Journal of Biomolecular Structure and Dynamics 41:10, pages 4641-4649.
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Shivanika C, Deepak Kumar S.Venkataraghavan Ragunathan, Pawan Tiwari, Sumitha A.Brindha Devi P. (2022) Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease. Journal of Biomolecular Structure and Dynamics 40:2, pages 585-611.
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Mohd Ashraf Rather, Subhajit Dutta, Praveen Kumar Guttula, Bhushan C. Dhandare, S. I. Yusufzai & Mehar Imran Zafar. (2020) Structural analysis, molecular docking and molecular dynamics simulations of G-protein-coupled receptor (kisspeptin) in fish. Journal of Biomolecular Structure and Dynamics 38:8, pages 2422-2439.
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Peter Ozaveshe Oviroh, Rokhsareh Akbarzadeh, Dongqing Pan, Rigardt Alfred Maarten Coetzee & Tien-Chien Jen. (2019) New development of atomic layer deposition: processes, methods and applications. Science and Technology of Advanced Materials 20:1, pages 465-496.
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Salman Ahmadi, Mohammad Saba Yousef Mardoukhi, Mahmoud Salehi, Sharareh Sajjadi & Amir Homayoun Keihan. (2019) Molecular dynamics simulation of lactate dehydrogenase adsorption onto pristine and carboxylic-functionalized graphene. Molecular Simulation 45:16, pages 1305-1311.
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Francisco Cabezas & Carolina Mascayano. (2019) Docking, steered molecular dynamics, and QSAR studies as strategies for studying isoflavonoids as 5-, 12-, and 15-lipoxygenase inhibitors. Journal of Biomolecular Structure and Dynamics 37:6, pages 1511-1519.
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