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Journal of Biomolecular Structure and Dynamics Volume 38, 2020 - Issue 6
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Research Articles

Insights into structural dynamics of allosteric binding sites in HCV RNA-dependent RNA polymerase

Lovika MittalDrug Discovery Research Center (DDRC), Translational Health Science and Technology Institute (THSTI), Faridabad, India; View further author information
,
Anita KumariDrug Discovery Research Center (DDRC), Translational Health Science and Technology Institute (THSTI), Faridabad, India; View further author information
,
Charu SuriDrug Discovery Research Center (DDRC), Translational Health Science and Technology Institute (THSTI), Faridabad, India; View further author information
,
Sankar BhattacharyaVaccine and Infectious Disease Research Center (VIDRC), Translational Health Science and Technology Institute (THSTI), Faridabad, IndiaView further author information
&
Shailendra AsthanaDrug Discovery Research Center (DDRC), Translational Health Science and Technology Institute (THSTI), Faridabad, India; Correspondence[email protected]
View further author information
Pages 1612-1625 | Received 07 Dec 2018, Accepted 25 Apr 2019, Published online: 16 May 2019

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Read on this site (8)

Rinki Sisodia, Debapriyo Sarmadhikari, Pooja Anjali Mazumdar, Shailendra Asthana & Chaithanya Madhurantakam. (2023) Molecular analysis of dUTPase of Helicobacter pylori for identification of novel inhibitors using in silico studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-26.
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Shingini Sharma, Rashmi Tyagi, Mitul Srivastava, Kusum Rani, Dhruv Kumar, Shailendra Asthana & V. Samuel Raj. (2023) Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen box. Journal of Biomolecular Structure and Dynamics 41:11, pages 5117-5126.
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Shruti Panwar, Anita Kumari, Hitesh Kumar, Anoop Kumar Tiwari, Prabhanshu Tripathi & Shailendra Asthana. (2022) Structure-based virtual screening, molecular dynamics simulation and in vitro evaluation to identify inhibitors against NAMPT. Journal of Biomolecular Structure and Dynamics 40:20, pages 10332-10344.
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Anita Kumari, Lovika Mittal, Mitul Srivastava & Shailendra Asthana. (2022) Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 40:19, pages 9287-9305.
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Rupesh V. Chikhale, Saurabh K. Sinha, Rajesh B. Patil, Satyendra K. Prasad, Anshul Shakya, Nilambari Gurav, Rupali Prasad, Suhas R. Dhaswadikar, Manish Wanjari & Shailendra S. Gurav. (2021) In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19. Journal of Biomolecular Structure and Dynamics 39:14, pages 5033-5047.
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Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh & Shailendra Asthana. (2021) Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. Journal of Biomolecular Structure and Dynamics 39:10, pages 3662-3680.
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Aditya Mittal, Anandkumar Madhavjibhai Changani & Sakshi Taparia. (2021) Unique and exclusive peptide signatures directly identify intrinsically disordered proteins from sequences without structural information. Journal of Biomolecular Structure and Dynamics 39:8, pages 2885-2893.
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Aditya Mittal, Anandkumar Madhavjibhai Changani, Sakshi Taparia, Deepanshu Goel, Animesh Parihar & Ishan Singh. (2021) Structural disorder originates beyond narrow stoichiometric margins of amino acids in naturally occurring folded proteins. Journal of Biomolecular Structure and Dynamics 39:7, pages 2364-2375.
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Articles from other publishers (7)

Venkatanarayana Chowdary Maddipati, Lovika Mittal, Jaskaran Kaur, Yogita Rawat, Chandra Prakash Koraboina, Sankar Bhattacharyya, Shailendra Asthana & Rambabu Gundla. (2023) Discovery of non-nucleoside oxindole derivatives as potent inhibitors against dengue RNA-dependent RNA polymerase. Bioorganic Chemistry 131, pages 106277.
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Anita Kumari, Lovika Mittal, Mitul Srivastava, Dharam Pal Pathak & Shailendra Asthana. (2021) Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR. Frontiers in Molecular Biosciences 8.
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Mitul Srivastava, Lovika Mittal, Anita Kumari & Shailendra Asthana. (2021) Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp. Frontiers in Molecular Biosciences 8.
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Dipanka Tanu Sarmah, Nandadulal Bairagi & Samrat Chatterjee. (2021) Tracing the footsteps of autophagy in computational biology. Briefings in Bioinformatics 22:4.
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Lovika Mittal, Mitul Srivastava, Anita Kumari, Rajiv K. Tonk, Amit Awasthi & Shailendra Asthana. (2021) Interplay among Structural Stability, Plasticity, and Energetics Determined by Conformational Attuning of Flexible Loops in PD-1. Journal of Chemical Information and Modeling 61:1, pages 358-384.
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Sujeet Kumar Thakur, Krishnendu Goswami, Pallavi Rao, Shivam Kaushik, Bhanu Pratap Singh, Pinky Kain, Shailendra Asthana, Saikat Bhattacharjee, Prasenjit Guchhait & Sambasivan V. Eswaran. (2020) Fluoresceinated Aminohexanol Tethered Inositol Hexakisphosphate: Studies on Arabidopsis thaliana and Drosophila melanogaster and Docking with 2P1M Receptor . ACS Omega 5:16, pages 9585-9597.
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Lovika Mittal, Mitul Srivastava & Shailendra Asthana. (2019) Conformational Characterization of Linker Revealed the Mechanism of Cavity Formation by 227G in BVDV RDRP. The Journal of Physical Chemistry B 123:29, pages 6150-6160.
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