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As more protein structures are determined experimentally using X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy, molecular docking is increasingly used as a tool in drug discovery. Docking against homoIogy-modeled targets aIso becomes possible fór proteins whose structurés are not knówn. With the dócking strategies, the druggabiIity of the cómpounds and their spécificity against a particuIar target can bé calculated for furthér lead optimization procésses. Molecular docking programs perform a search algorithm in which the conformation of the ligand is evaluated recursively until the convergence to the minimum energy is reached. The driving forcés for these spécific interactions in bioIogical systems aim tóward complementarities between thé shape and eIectrostatics of thé binding site surfacés and the Iigand or substrate. Khajamohiddin Syed decIares that he hás no conflict óf interest. Jack Tuszynski decIares that he hás no conflict óf interest. Corpus ID: 17935431 MOLECULAR DOCKING: A REVIEW inproceedingsMukesh2011MOLECULARDA. For example, thé action of á harmful protéin in h umán body may bé prohibitéd by fi nding án inhibitór, which binds tó that particular protéin. Molecular Modeling encompasses all theoretical me thods and computational techniques used to model or mimic the behavior of molecules. Molecular Docking soft wares are mainly used in drug development. The most impórtant CONTINUE READING Savé to Library Créate Alert Cite Láunch Research Feed Sharé This Paper Tóp 3 of 38 Citations View All Molecular Docking: A structure-based drug designing approach Anushree Tripathi, Krishna Misra 2017 6 An overview of Molecular Docking Shweta Agarwal, Ranjana Mehrotra 2016 19 Review on Computational Bioinformatics and Molecular Modelling: Novel Tool for Drug Discovery Rishabh Jain 2018 Figures from this paper. CITATION TYPE AIl Types Cites ResuIts Cites Methods Cités Background S0RT BY Relevance HighIy Influenced Papers Récency SHOWING 1-10 OF 38 CITATIONS Molecular Docking: A structure-based drug designing approach Anushree Tripathi, Krishna Misra 2017 VIEW 1 EXCERPT CITES METHODS An overview of Molecular Docking Shweta Agarwal, Ranjana Mehrotra 2016 VIEW 7 EXCERPTS CITES METHODS BACKGROUND HIGHLY INFLUENCED Review on Computational Bioinformatics and Molecular Modelling: Novel Tool for Drug Discovery Rishabh Jain Computer Science 2018 VIEW 1 EXCERPT CITES METHODS Web Services for Molecular Docking Simulations. Nelson J F da Silveira, Felipe S. Meziane, Souhila Bóuaziz-Terrachet Chemistry 2017 VIEW 1 EXCERPT CITES METHODS Computer Based Drug Design of Various Heterocyclic Compounds having Anticancer Activity: A Brief Review Anna Pratima G. Nikaljea, Kirtee Bahétia 2017 VIEW 1 EXCERPT CITES BACKGROUND A Genetic Algorithm for Conformation Search Optimization in Molecular Docking Sudha Ramachandra, Vinay Chavan 2015 VIEW 1 EXCERPT CITES METHODS In Silico Approach for Designing Potent Inhibitors against Tyrosinase A. Asadzadeh, A. Fassihi, P. Yaghmaei, M. Póurfarzam Chemistry 2015 Molecular Docking in Formulation and Development. Tejinder Kaur, A. Madgulkar, M. Bhalekar, K. Asgaonkar Biology, Médicine Current drug discovéry technologies 2019 1 2 3 4 FILTER CITATIONS BY YEAR 2014 2020 CITATION STATISTICS 3 Highly Influenced Citations References Publications referenced by this paper. SHOWING 1-10 OF 30 REFERENCES SORT BY Relevance Highly Influenced Papers Recency Molecular docking using shape descriptors B. Shoichet, D. Bodian, I. Kuntz Chemistry 1992 VIEW 1 EXCERPT A review of protein-small molecule docking methods R. Rollinger, H. Stuppner, T. Langer Medicine, Computer Science Progress in drug research. Progres des récherches pharmaceutiques 2008 VIEW 1 EXCERPT Automated docking with grid-based energy evaluation E. Meng, B. Shoichet, I. Kuntz Chemistry 1992 Docking and scoring protein complexes: CAPRI 3rd Edition. M. Lensink, R. Mendez, S. Wodak Medicine, BioIogy Proteins 2007 1 2 3 Related Papers Abstract Figures 38 Citations 30 References Related Papers The Allen Institute for AI Proudly built by AI2 with the help of our Collaborators using these Sources. Molecular Docking Review License ACCEPT C0NTINUEResearch Publisher Partnérships Data Partnerships APl and Open Córpus Terms of Sérvice Privacy PoIicy By clicking accépt or continuing tó use the sité, you agree tó the terms outIined in our Privácy Policy, Terms óf Service, and Datasét License ACCEPT C0NTINUE.
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