Статті в журналах з теми "Computer-aided drug discovery, in silico methodologies, ligand-based, structure-based"
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Ознайомтеся з топ-22 статей у журналах для дослідження на тему "Computer-aided drug discovery, in silico methodologies, ligand-based, structure-based".
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Yadav, Tara Chand, Amit Kumar Srivastava, Arpita Dey, Naresh Kumar, Navdeep Raghuwanshi, and Vikas Pruthi. "Application of Computational Techniques to Unravel Structure-Function Relationship and their Role in Therapeutic Development." Current Topics in Medicinal Chemistry 18, no. 20 (December 31, 2018): 1769–91. http://dx.doi.org/10.2174/1568026619666181120142141.
Повний текст джерелаde Sousa Luis, José A., Normando A. da Silva Costa, Cristiane C. S. Luis, Bruno F. Lira, Petrônio F. Athayde-Filho, Tatjana K. de Souza Lima, Juliana da Câmara Rocha, Luciana Scotti, and Marcus T. Scotti. "Synthesis of New Cyclic Imides Derived From Safrole, Structure- and Ligand-based Approaches to Evaluate Potential New Multitarget Agents Against Species of Leishmania." Medicinal Chemistry 16, no. 1 (January 16, 2020): 39–51. http://dx.doi.org/10.2174/1573406415666190430144950.
Повний текст джерелаCerdan, Adrien H., Marion Sisquellas, Gilberto Pereira, Diego E. Barreto Gomes, Jean-Pierre Changeux, and Marco Cecchini. "The Glycine Receptor Allosteric Ligands Library (GRALL)." Bioinformatics 36, no. 11 (March 12, 2020): 3379–84. http://dx.doi.org/10.1093/bioinformatics/btaa170.
Повний текст джерелаNero, Tracy L., Michael W. Parker, and Craig J. Morton. "Protein structure and computational drug discovery." Biochemical Society Transactions 46, no. 5 (September 21, 2018): 1367–79. http://dx.doi.org/10.1042/bst20180202.
Повний текст джерелаSehgal, Vijay Kumar, Supratik Das, and Anand Vardhan. "Computer Aided Drug Designing." International Journal of Medical and Dental Sciences 6, no. 1 (January 1, 2017): 1433. http://dx.doi.org/10.18311/ijmds/2017/18804.
Повний текст джерелаDe, Baishakhi, Koushik Bhandari, Francisco J. B. Mendonça, Marcus T. Scotti, and Luciana Scotti. "Computational Studies in Drug Design Against Cancer." Anti-Cancer Agents in Medicinal Chemistry 19, no. 5 (June 27, 2019): 587–91. http://dx.doi.org/10.2174/1871520618666180911125700.
Повний текст джерелаSanyal, Saptarshi, Sk Abdul Amin, Nilanjan Adhikari, and Tarun Jha. "Ligand-based design of anticancer MMP2 inhibitors: a review." Future Medicinal Chemistry 13, no. 22 (November 2021): 1987–2013. http://dx.doi.org/10.4155/fmc-2021-0262.
Повний текст джерелаLeelananda, Sumudu P., and Steffen Lindert. "Computational methods in drug discovery." Beilstein Journal of Organic Chemistry 12 (December 12, 2016): 2694–718. http://dx.doi.org/10.3762/bjoc.12.267.
Повний текст джерелаSamanta, Pabitra Narayan, Supratik Kar, and Jerzy Leszczynski. "Recent Advances of In-Silico Modeling of Potent Antagonists for the Adenosine Receptors." Current Pharmaceutical Design 25, no. 7 (June 17, 2019): 750–73. http://dx.doi.org/10.2174/1381612825666190304123545.
Повний текст джерелаRamesh, Muthusamy, and Arunachalam Muthuraman. "Computer-Aided Drug Discovery (CADD) Approaches for the Management of Neuropathic Pain." Current Topics in Medicinal Chemistry 21, no. 32 (December 23, 2021): 2856–68. http://dx.doi.org/10.2174/1568026621666211122161932.
Повний текст джерелаRudrapal, Mithun, and Dipak Chetia. "Virtual Screening, Molecular Docking and QSAR Studies in Drug Discovery and Development Programme." Journal of Drug Delivery and Therapeutics 10, no. 4 (July 15, 2020): 225–33. http://dx.doi.org/10.22270/jddt.v10i4.4218.
Повний текст джерелаNakarin, Fahsai, Kajjana Boonpalit, Jiramet Kinchagawat, Patcharapol Wachiraphan, Thanyada Rungrotmongkol, and Sarana Nutanong. "Assisting Multitargeted Ligand Affinity Prediction of Receptor Tyrosine Kinases Associated Nonsmall Cell Lung Cancer Treatment with Multitasking Principal Neighborhood Aggregation." Molecules 27, no. 4 (February 11, 2022): 1226. http://dx.doi.org/10.3390/molecules27041226.
Повний текст джерелаPandey, Surabhi, and B. K. Singh. "De-novo Drug Design, Molecular Docking and In-Silico Molecular Prediction of AChEI Analogues through CADD Approaches as Anti-Alzheimer’s Agents." Current Computer-Aided Drug Design 16, no. 1 (January 6, 2020): 54–72. http://dx.doi.org/10.2174/1573409915666190301124210.
Повний текст джерелаBrogi, Simone, Mark Tristan Quimque, Kin Israel Notarte, Jeremiah Gabriel Africa, Jenina Beatriz Hernandez, Sophia Morgan Tan, Vincenzo Calderone, and Allan Patrick Macabeo. "Virtual Combinatorial Library Screening of Quinadoline B Derivatives against SARS-CoV-2 RNA-Dependent RNA Polymerase." Computation 10, no. 1 (January 12, 2022): 7. http://dx.doi.org/10.3390/computation10010007.
Повний текст джерелаOsman, Doaa A., Mario A. Macías, Lamya H. Al-Wahaibi, Nora H. Al-Shaalan, Luke S. Zondagh, Jacques Joubert, Santiago Garcia-Granda та Ali A. El-Emam. "Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11β-HSD1 Inhibitors". Molecules 26, № 17 (2 вересня 2021): 5335. http://dx.doi.org/10.3390/molecules26175335.
Повний текст джерелаSokolova, K. V., V. V. Stavytskyi, S. О. Konovalova, O. A. Podpletnya, S. I. Kovalenko, and A. P. Avdeenko. "Design and search for prospective diuretics (CA II Inhibitors) among aroylhydrazones of esters quinone oxime using in silico and in vivo methodology." Medicni perspektivi 27, no. 4 (December 29, 2022): 27–37. http://dx.doi.org/10.26641/2307-0404.2022.4.271120.
Повний текст джерелаMoreira, Bernardo Pereira, Izabella Cristina Andrade Batista, Naiara Clemente Tavares, Tom Armstrong, Sandra Grossi Gava, Gabriella Parreiras Torres, Marina Moraes Mourão, and Franco H. Falcone. "Docking-Based Virtual Screening Enables Prioritizing Protein Kinase Inhibitors With In Vitro Phenotypic Activity Against Schistosoma mansoni." Frontiers in Cellular and Infection Microbiology 12 (July 5, 2022). http://dx.doi.org/10.3389/fcimb.2022.913301.
Повний текст джерелаSimoben, Conrad V., Fidele Ntie-Kang, Dina Robaa, and Wolfgang Sippl. "Case studies on computer-based identification of natural products as lead molecules." Physical Sciences Reviews 5, no. 10 (May 15, 2020). http://dx.doi.org/10.1515/psr-2018-0119.
Повний текст джерелаRahman, Md Mominur, Md Rezaul Islam, Shopnil Akash, Sadia Afsana Mim, Md Saidur Rahaman, Talha Bin Emran, Esra Küpeli Akkol, et al. "In silico investigation and potential therapeutic approaches of natural products for COVID-19: Computer-aided drug design perspective." Frontiers in Cellular and Infection Microbiology 12 (August 22, 2022). http://dx.doi.org/10.3389/fcimb.2022.929430.
Повний текст джерелаProj, Matic, Steven De Jonghe, Tom Van Loy, Marko Jukič, Anže Meden, Luka Ciber, Črtomir Podlipnik, et al. "A Set of Experimentally Validated Decoys for the Human CC Chemokine Receptor 7 (CCR7) Obtained by Virtual Screening." Frontiers in Pharmacology 13 (March 18, 2022). http://dx.doi.org/10.3389/fphar.2022.855653.
Повний текст джерелаSahu, Ankita, Saurabh Verma, Dibyabhaba Pradhan, Khalid Raza, Sahar Qazi, and A. K. Jain. "Computational screening for finding new potent cox-2 inhibitors as anticancer agents." Letters in Drug Design & Discovery 19 (January 28, 2022). http://dx.doi.org/10.2174/1570180819666220128122553.
Повний текст джерелаGahbauer, Stefan, Galen J. Correy, Marion Schuller, Matteo P. Ferla, Yagmur Umay Doruk, Moira Rachman, Taiasean Wu, et al. "Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2." Proceedings of the National Academy of Sciences 120, no. 2 (January 4, 2023). http://dx.doi.org/10.1073/pnas.2212931120.
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