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Bourougaa Lotfi, Ouassaf Mebarka, Shafi Ullah Khan & Thet Thet Htar. (2023) Pharmacophore-based virtual screening, molecular docking and molecular dynamics studies for the discovery of novel neuraminidase inhibitors. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Yinli Gao, Hanxun Wang, Jian Wang & Maosheng Cheng. (2020) In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation. Journal of Biomolecular Structure and Dynamics 38:14, pages 4119-4133.
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Kriti Kashyap & Rita Kakkar. (2020) An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies. Journal of Biomolecular Structure and Dynamics 38:1, pages 48-65.
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Richa Arora, Upasana Issar & Rita Kakkar. (2019) Identification of novel urease inhibitors: pharmacophore modeling, virtual screening and molecular docking studies. Journal of Biomolecular Structure and Dynamics 37:16, pages 4312-4326.
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Yanqiu Hu, Lu Zhou, Xiaohong Zhu, Duoqian Dai, Yinfeng Bao & Yaping Qiu. (2019) Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors. Journal of Biomolecular Structure and Dynamics 37:10, pages 2703-2715.
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Lacramioara Popovici, Roxana-Maria Amarandi, Ionel I. Mangalagiu, Violeta Mangalagiu & Ramona Danac. (2019) Synthesis, molecular modelling and anticancer evaluation of new pyrrolo[1,2-b]pyridazine and pyrrolo[2,1-a]phthalazine derivatives. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 230-243.
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Sarfaraz Alam & Feroz Khan. (2018) QSAR, docking, ADMET, and system pharmacology studies on tormentic acid derivatives for anticancer activity. Journal of Biomolecular Structure and Dynamics 36:9, pages 2373-2390.
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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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Peng Cheng, Jiaojiao Li, Juan Wang, Xiaoyun Zhang & Honglin Zhai. (2018) Investigations of FAK inhibitors: a combination of 3D-QSAR, docking, and molecular dynamics simulations studies. Journal of Biomolecular Structure and Dynamics 36:6, pages 1529-1549.
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Ruchi Malik, Pakhuri Mehta, Shubham Srivastava, Bhanwar Singh Choudhary & Manish Sharma. (2017) Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents. Journal of Biomolecular Structure and Dynamics 35:16, pages 3433-3448.
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Shaheen Begum, Mohammad Zubair Shareef & Koganti Bharathi. (2023)
Part-II-
in silico
drug design: application and success
. Physical Sciences Reviews 8:8, pages 1741-1788.
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Sisi Liu, Yaxin Li, Xilin Wei, Ran Zhang, Yifan Zhang & Chunyan Guo. (2022) Computational Investigations of Coumarin Derivatives as Cyclindependent
Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and
Molecular Dynamics Simulation. Current Computer-Aided Drug Design 18:5, pages 363-380.
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Sarfaraz Alam, Sadaf Nasreen, Ateeque Ahmad, Mahendra Pandurang Darokar & Feroz Khan. (2021) Detection of Natural Inhibitors against Human Liver Cancer Cell Lines through QSAR, Molecular Docking and ADMET Studies. Current Topics in Medicinal Chemistry 21:8, pages 686-695.
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Sumera Zaib & Imtiaz Khan. (2020) Synthetic and medicinal chemistry of phthalazines: Recent developments, opportunities and challenges. Bioorganic Chemistry 105, pages 104425.
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Fengyi Gao, Yishan Fu, Junjie Yi, Anning Gao, Yijia Jia & Shengbao Cai. (2020) Effects of Different Dietary Flavonoids on Dipeptidyl Peptidase-IV Activity and Expression: Insights into Structure–Activity Relationship. Journal of Agricultural and Food Chemistry 68:43, pages 12141-12151.
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Varun Chahal, Sonam Nirwan & Rita Kakkar. (2019) Combined approach of homology modeling, molecular dynamics, and docking: computer-aided drug discovery. Physical Sciences Reviews 4:10.
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Anshika Mittal, Ritu Arora & Rita Kakkar. (2019) Pharmacophore modeling, 3D-QSAR and molecular docking studies of quinazolines and aminopyridines as selective inhibitors of inducible nitric oxide synthase. Journal of Theoretical and Computational Chemistry 18:01, pages 1950002.
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Mingxing Wang, Ying Wang, Dejiang Kong, Hailun Jiang, Jian Wang & Maosheng Cheng. (2018) In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations. Computational Biology and Chemistry 77, pages 214-225.
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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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Mingxing Wang, Wei Li, Ying Wang, Yongbo Song, Jian Wang & Maosheng Cheng. (2018) In silico insight into voltage-gated sodium channel 1.7 inhibition for anti-pain drug discovery. Journal of Molecular Graphics and Modelling 84, pages 18-28.
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Bharti Badhani & Rita Kakkar. (2017) Structural, electronic, and reactivity parameters of some triorganotin(IV) carboxylates: a DFT analysis. Structural Chemistry 29:3, pages 753-763.
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Atmika Paudel, Suresh Panthee, Makoto Urai, Hiroshi Hamamoto, Tomohiko Ohwada & Kazuhisa Sekimizu. (2018) Pharmacokinetic parameters explain the therapeutic activity of antimicrobial agents in a silkworm infection model. Scientific Reports 8:1.
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