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Manish Ramchandani & Amit Kumar Goyal. (2023) Structure based drug design and fragment based approach to identify potential methotrexate analogues as dual inhibitors for management of psoriasis. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Hani S. H. Mohammed Ali, Hisham N. Altayb, Ahmed Atef Mohamed Bayoumi, Abdelfatteh El Omri, Ahmad Firoz & Kamel Chaieb. (2023) In silico screening of the effectiveness of natural compounds from algae as SARS-CoV-2 inhibitors: molecular docking, ADMT profile and molecular dynamic studies. Journal of Biomolecular Structure and Dynamics 41:7, pages 3129-3144.
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Hani S. H. Mohammed Ali, Hisham N. Altayb, Ahmad Firoz, Ahmed Atef Mohamed Bayoumi, Abdelfatteh El Omri & Kamel Chaieb. (2022) Inhibitory activity of marine sponge metabolites on SARS-CoV-2 RNA dependent polymerase: virtual screening and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 40:20, pages 10191-10202.
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Pakhuri Mehta & Ruchi Malik. (2020) Discovery and identification of putative adenosine kinase inhibitors as potential anti-epileptic agents from structural insights. Journal of Biomolecular Structure and Dynamics 38:18, pages 5320-5337.
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Apeksha Shrivastava, Shubham Srivastava, Ruchi Malik, M. Mumtaz Alam, M. Shaqiquzamman & Mymoona Akhter. (2020) Identification of novel small molecule non-peptidomimetic inhibitor for prolyl oligopeptidase through in silico and in vitro approaches. Journal of Biomolecular Structure and Dynamics 38:5, pages 1292-1305.
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Virendra Nath, Rohini Agrawal & Vipin Kumar. (2020) Structure based docking and molecular dynamics studies: Peroxisome proliferator-activated receptors –α/γ dual agonists for treatment of metabolic disorders. Journal of Biomolecular Structure and Dynamics 38:2, pages 511-523.
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Neeraj Kumar, Shashank Shekhar Mishra, Chandra Shekhar Sharma, Hamendra Pratap Singh & Sourav Kalra. (2018)
In silico binding mechanism prediction of benzimidazole based corticotropin releasing factor-1 receptor antagonists by quantitative structure activity relationship, molecular docking and pharmacokinetic parameters calculation. Journal of Biomolecular Structure and Dynamics 36:7, pages 1691-1712.
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Leyi Huang, Wenjie Xiao, Yan Wang, Juan Li, Jiaoe Gong, Ewen Tu, Lili Long, Bo Xiao, Xiaoxin Yan & Lily Wan. (2024) Metabotropic glutamate receptors (mGluRs) in epileptogenesis: an update on abnormal mGluRs signaling and its therapeutic implications. Neural Regeneration Research 19:2, pages 360-368.
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Nigar ÇARŞIBAŞI. (2023) Pharmacophore Modeling Guided by Conformational Dynamics Reveals Potent Anticancer AgentsKonformasyonel Dinamik Yönlendirmeli Farmakofor Modelleme ile Güçlü Antikanser Ajanlarının Belirlenmesi. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 27:1, pages 51-63.
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Nouman Rasool, Afreen Bakht & Waqar Hussain. (2021) Analysis of Inhibitor Binding Combined with Reactivity Studies to Discover the Potentially Inhibiting Phytochemicals Targeting Chikungunya Viral Replication. Current Drug Discovery Technologies 18:3, pages 437-450.
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Pakhuri Mehta, Shubham Srivastava, Manish Sharma & Ruchi Malik. (2019) Discovery of novel chemotypes for competitive AMPA receptor antagonists as potential antiepileptic agents through structure-based virtual screening of natural products library. Structural Chemistry 30:4, pages 1159-1172.
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Nouman Rasool, Aisha Ashraf, Muneeba Waseem, Waqar Hussain & Sajid Mahmood. (2019) Computational exploration of antiviral activity of phytochemicals against NS2B/NS3 proteases from dengue virus. Turkish Journal of Biochemistry 44:3, pages 261-277.
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Pakhuri Mehta, Shubham Srivastava, Manish Sharma, Inderpal Singh & Ruchi Malik. (2018) Identification of chemically diverse GABAA agonists as potential anti-epileptic agents using structure-guided virtual screening, ADMET, quantum mechanics and clinical validation through off-target analysis. International Journal of Biological Macromolecules 119, pages 1113-1128.
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Iram Iqbal Hejazi, Rashmin Khanam, Syed Hassan Mehdi, Abdul Roouf Bhat, M.Moshahid Alam Rizvi, Sonu Chand Thakur & Fareeda Athar. (2018) Antioxidative and anti-proliferative potential of Curculigo orchioides Gaertn in oxidative stress induced cytotoxicity: In vitro, ex vivo and in silico studies. Food and Chemical Toxicology 115, pages 244-259.
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