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Bruno Gildo Dalla Vecchia Morales, Marlon Chaves dos Reis, Thales Junior de Souza Gomes, Nabia Azevedo Zeferino, George Azevedo de Oliveira & Fernando Berton Zanchi. (2022) A rational in silico approach to identify inhibitors of Batroxrhagin from Bothrops atrox. Journal of Biomolecular Structure and Dynamics 40:20, pages 9620-9635.
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Velu Shunmuga Priya, Dhinakararajan Pradiba, Murali Aarthy, Sanjeev Kumar Singh, Anant Achary & Mani Vasanthi. (2021) In-silico strategies for identification of potent inhibitor for MMP-1 to prevent metastasis of breast cancer. Journal of Biomolecular Structure and Dynamics 39:18, pages 7274-7293.
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John Marshal Jayaraj, Everlyne Reteti, Chandrasekhar Kesavan & Karthikeyan Muthusamy. (2021) Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach. Journal of Biomolecular Structure and Dynamics 39:11, pages 4148-4159.
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Lakshmanan Loganathan, Keerthana Natarajan & Karthikeyan Muthusamy. (2020) Computational study on cross-talking cancer signalling mechanism of ring finger protein 146, AXIN and Tankyrase protein complex. Journal of Biomolecular Structure and Dynamics 38:17, pages 5173-5185.
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Lakshmanan Loganathan, Karthikeyan Muthusamy, John Marshal Jayaraj, Afrinrilwana Kajamaideen & Josephine Julia Balthasar. (2019) In silico insights on tankyrase protein: A potential target for colorectal cancer. Journal of Biomolecular Structure and Dynamics 37:14, pages 3637-3648.
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John Marshal Jayaraj, Gopinath Krishnasamy, Jung-Kul Lee & Karthikeyan Muthusamy. (2019)
In silico identification and screening of CYP24A1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis. Journal of Biomolecular Structure and Dynamics 37:7, pages 1700-1714.
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Karthikeyan Muthusamy, Sathishkumar Chinnasamy, Subbiah Nagarajan & Thirunavukkarasu Sivaraman. (2018) Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.. Journal of Biomolecular Structure and Dynamics 36:16, pages 4197-4208.
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Houcemeddine Othman, Silke Andrea Wieninger, Mohamed ElAyeb, Michael Nilges & Najet Srairi-Abid. (2017) In Silico prediction of the molecular basis of ClTx and AaCTx interaction with matrix metalloproteinase-2 (MMP-2) to inhibit glioma cell invasion. Journal of Biomolecular Structure and Dynamics 35:13, pages 2815-2829.
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Karthikeyan Muthusamy, Sathishkumar Chinnasamy, Subbiah Nagarajan, Thirunavukkarasu Sivaraman & Selvakumar Chinnasamy. (2017) Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insights. Journal of Biomolecular Structure and Dynamics 35:9, pages 1936-1949.
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Articles from other publishers (6)
Saranya Shivashankar & Marimuthu Kannan Sangeetha. (2022) The Natural Ligand for Metalloproteinase-A Multifaceted Drug Target. Applied Biochemistry and Biotechnology 194:4, pages 1716-1739.
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Shabir Ahmad Ganai, Pappu Srinivasan, Sundaraj Rajamanikandan, Basit Amin Shah, Suma Mohan, Mudasir Gani, Bilal Ahmad Padder, Raies A. Qadri, M. A. Bhat, Zahoor Ahmad Baba & Manzoor Ahmad Yatoo. (2021) Delineating binding potential, stability of Sulforaphane‐N‐acetyl‐cysteine in the active site of histone deacetylase 2 and testing its cytotoxicity against distinct cancer lines through stringent molecular dynamics, DFT and cell‐based assays. Chemical Biology & Drug Design 98:3, pages 363-376.
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Sathishkumar Chinnasamy, Gurudeeban Selvaraj, Chandrabose Selvaraj, Aman Chandra Kaushik, Satyavani Kaliamurthi, Abbas Khan, Sanjeev Kumar Singh & Dong-Qing Wei. (2020) Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2). International Journal of Biological Macromolecules 144, pages 53-66.
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Shimin Sun, Denghong Zhang, Jing Zhang, Chunhong Huang & Ying Xiong. (2018) High activity chimeric snake gamma-type phospholipase A2 inhibitor created by DNA shuffling. Toxicon 153, pages 32-38.
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Lina Preciado, Jaime Pereañez, Ettayapuram Azhagiya Singam & Jeffrey Comer. (2018) Interactions between Triterpenes and a P-I Type Snake Venom Metalloproteinase: Molecular Simulations and Experiments. Toxins 10:10, pages 397.
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Murali Aarthy, Deepak Kumar, Rajanish Giri & Sanjeev Kumar Singh. (2018) E7 oncoprotein of human papillomavirus: Structural dynamics and inhibitor screening study. Gene 658, pages 159-177.
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