Статті в журналах з теми "In silico methodologies"
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Hasan, Doaa Mohamed, Ahmed Sharaf Eldin, Ayman Elsayed Khedr, and Hanan Fahmy. "In-Silico Methodologies for Cancer Multidrug Optimization." INTERNATIONAL JOURNAL OF COMPUTERS & TECHNOLOGY 17, no. 2 (July 6, 2018): 7186–205. http://dx.doi.org/10.24297/ijct.v17i2.7168.
Повний текст джерелаScotti, Luciana, Jahan Ghasemi, and Marcus T. Scotti. "Editorial: In Silico Methodologies Applied to Drug Discovery." Combinatorial Chemistry & High Throughput Screening 21, no. 3 (April 23, 2018): 150–51. http://dx.doi.org/10.2174/138620732103180423125817.
Повний текст джерелаScotti, Luciana, and Marcus T. Scotti. "In Silico Methodologies Applied to Anti-infections Drug Discovery." Combinatorial Chemistry & High Throughput Screening 23, no. 6 (October 5, 2020): 456–57. http://dx.doi.org/10.2174/138620732306200612101828.
Повний текст джерелаRemtulla, Raheem, Sanjoy Kumar Das, and Leonard A. Levin. "Predicting Absorption-Distribution Properties of Neuroprotective Phosphine-Borane Compounds Using In Silico Modeling and Machine Learning." Molecules 26, no. 9 (April 25, 2021): 2505. http://dx.doi.org/10.3390/molecules26092505.
Повний текст джерелаUysal, Sengul, Abdurrahman Aktumsek, Carene M. N. Picot, Alime Sahan, Adriano Mollica, Gokhan Zengin, and Mohamad Fawzi Mahomoodally. "A comparative in vitro and in silico study of the biological potential and chemical fingerprints of Dorcycinum pentapyllum subsp. haussknechtii using three extraction procedures." New Journal of Chemistry 41, no. 22 (2017): 13952–60. http://dx.doi.org/10.1039/c7nj03497k.
Повний текст джерелаMoura, Ana S., Amit K. Halder, and M. Natália DS Cordeiro. "From biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modeling." Future Medicinal Chemistry 11, no. 17 (September 2019): 2313–31. http://dx.doi.org/10.4155/fmc-2018-0365.
Повний текст джерелаBall, Nicholas, Remi Bars, Philip A. Botham, Andreea Cuciureanu, Mark T. D. Cronin, John E. Doe, Tatsiana Dudzina, Timothy W. Gant, Marcel Leist, and Bennard van Ravenzwaay. "A framework for chemical safety assessment incorporating new approach methodologies within REACH." Archives of Toxicology 96, no. 3 (February 1, 2022): 743–66. http://dx.doi.org/10.1007/s00204-021-03215-9.
Повний текст джерелаGimeno, Aleix, María Ojeda-Montes, Sarah Tomás-Hernández, Adrià Cereto-Massagué, Raúl Beltrán-Debón, Miquel Mulero, Gerard Pujadas, and Santiago Garcia-Vallvé. "The Light and Dark Sides of Virtual Screening: What Is There to Know?" International Journal of Molecular Sciences 20, no. 6 (March 19, 2019): 1375. http://dx.doi.org/10.3390/ijms20061375.
Повний текст джерелаKothandan, Gugan, Changdev G. Gadhe, Thirumurthy Madhavan, and Seung J. Cho. "Binding Site Analysis of CCR2 Through In Silico Methodologies: Docking, CoMFA, and CoMSIA." Chemical Biology & Drug Design 78, no. 1 (March 29, 2011): 161–74. http://dx.doi.org/10.1111/j.1747-0285.2011.01095.x.
Повний текст джерелаGadhe, Changdev G., Gugan Kothandan, and Seung Joo Cho. "Binding site exploration of CCR5 using in silico methodologies: a 3D-QSAR approach." Archives of Pharmacal Research 36, no. 1 (January 2013): 6–31. http://dx.doi.org/10.1007/s12272-013-0001-1.
Повний текст джерелаHalder, Amit Kumar, and M. Natália Dias Soeiro Cordeiro. "Advanced in Silico Methods for the Development of Anti- Leishmaniasis and Anti-Trypanosomiasis Agents." Current Medicinal Chemistry 27, no. 5 (March 16, 2020): 697–718. http://dx.doi.org/10.2174/0929867325666181031093702.
Повний текст джерелаCezário, Stephanie Priscila de Sousa, Gabriel Veloso Correa, and Luiz Frederico Motta. "<em>In silico</em> pharmacokinetic and toxicological study of Flavone analogues." Brazilian Journal of Development 8, no. 12 (December 27, 2022): 80782–99. http://dx.doi.org/10.34117/bjdv8n12-263.
Повний текст джерелаFirman, James W., Mark T. D. Cronin, Philip H. Rowe, Elizaveta Semenova, and John E. Doe. "The use of Bayesian methodology in the development and validation of a tiered assessment approach towards prediction of rat acute oral toxicity." Archives of Toxicology 96, no. 3 (January 16, 2022): 817–30. http://dx.doi.org/10.1007/s00204-021-03205-x.
Повний текст джерелаAraujo, Laura Faria, Cacio Henrique de Souza Pinto, and Luiz Frederico Motta. "<em>In silico</em> pharmacokinetic and toxicological study of Cinnamic Acid analogues." Brazilian Journal of Development 8, no. 12 (December 27, 2022): 80800–80817. http://dx.doi.org/10.34117/bjdv8n12-264.
Повний текст джерелаTsiaka, Thalia, Eftichia Kritsi, Konstantinos Tsiantas, Paris Christodoulou, Vassilia J. Sinanoglou, and Panagiotis Zoumpoulakis. "Design and Development of Novel Nutraceuticals: Current Trends and Methodologies." Nutraceuticals 2, no. 2 (April 23, 2022): 71–90. http://dx.doi.org/10.3390/nutraceuticals2020006.
Повний текст джерелаJohnson, David, Anthony J. Connor, Steve Mckeever, Zhihui Wang, Thomas S. Deisboeck, Tom Quaiser, and Eliezer Shochat. "Semantically Linking in Silico Cancer Models." Cancer Informatics 13s1 (January 2014): CIN.S13895. http://dx.doi.org/10.4137/cin.s13895.
Повний текст джерелаPereira, Florbela, and Joao Aires-de-Sousa. "Computational Methodologies in the Exploration of Marine Natural Product Leads." Marine Drugs 16, no. 7 (July 13, 2018): 236. http://dx.doi.org/10.3390/md16070236.
Повний текст джерелаBotton, Andrea, Gianmarco Barberi, and Pierantonio Facco. "Data Augmentation to Support Biopharmaceutical Process Development through Digital Models—A Proof of Concept." Processes 10, no. 9 (September 6, 2022): 1796. http://dx.doi.org/10.3390/pr10091796.
Повний текст джерелаAzzam, Khaldun AL. "SwissADME and pkCSM Webservers Predictors: an integrated Online Platform for Accurate and Comprehensive Predictions for In Silico ADME/T Properties of Artemisinin and its Derivatives." Kompleksnoe Ispolʹzovanie Mineralʹnogo syrʹâ/Complex Use of Mineral Resources/Mineraldik Shikisattardy Keshendi Paidalanu 325, no. 2 (November 28, 2022): 14–21. http://dx.doi.org/10.31643/2023/6445.13.
Повний текст джерелаGrumetto, Lucia, та Giacomo Russo. "cΔlog kwIAM: can we afford estimation of small molecules’ blood-brain barrier passage based upon in silico phospholipophilicity?" ADMET and DMPK 9, № 4 (15 грудня 2021): 267–81. http://dx.doi.org/10.5599/admet.1034.
Повний текст джерелаAlbuquerque, Pedro, Inês Ribeiro, Sofia Correia, Ana Paula Mucha, Paula Tamagnini, Andreia Braga-Henriques, Maria de Fátima Carvalho, and Marta V. Mendes. "Complete Genome Sequence of Two Deep-Sea Streptomyces Isolates from Madeira Archipelago and Evaluation of Their Biosynthetic Potential." Marine Drugs 19, no. 11 (November 1, 2021): 621. http://dx.doi.org/10.3390/md19110621.
Повний текст джерелаGupta, Pawan, Prabha Garg, and Nilanjan Roy. "In silico screening for identification of novel HIV-1 integrase inhibitors using QSAR and docking methodologies." Medicinal Chemistry Research 22, no. 10 (February 5, 2013): 5014–28. http://dx.doi.org/10.1007/s00044-013-0490-y.
Повний текст джерелаBarlow, D. J., A. Buriani, T. Ehrman, E. Bosisio, I. Eberini, and P. J. Hylands. "In-silico studies in Chinese herbal medicines’ research: Evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date." Journal of Ethnopharmacology 140, no. 3 (April 2012): 526–34. http://dx.doi.org/10.1016/j.jep.2012.01.041.
Повний текст джерелаAraújo, Gabrielle Luck de, Maria Augusta Amaral Campos, Maria Anete Santana Valente, Sarah Cristina Teixeira Silva, Flávia Dayrell França, Miriam Martins Chaves, and Carlos Alberto Tagliati. "Alternative methods in toxicity testing: the current approach." Brazilian Journal of Pharmaceutical Sciences 50, no. 1 (March 2014): 55–62. http://dx.doi.org/10.1590/s1984-82502011000100005.
Повний текст джерелаHussain, Michelle, Kun Tian, Luciano Mutti, Marija Krstic-Demonacos, and Jean-Marc Schwartz. "The Expanded p53 Interactome as a Predictive Model for Cancer Therapy." Genomics and Computational Biology 1, no. 1 (September 18, 2015): 20. http://dx.doi.org/10.18547/gcb.2015.vol1.iss1.e20.
Повний текст джерелаAminpour, Maral, Carlo Montemagno, and Jack A. Tuszynski. "An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications." Molecules 24, no. 9 (April 30, 2019): 1693. http://dx.doi.org/10.3390/molecules24091693.
Повний текст джерелаBisel, Blaine, Francesco S. Pavone, and Martino Calamai. "GM1 and GM2 gangliosides: recent developments." BioMolecular Concepts 5, no. 1 (March 1, 2014): 87–93. http://dx.doi.org/10.1515/bmc-2013-0039.
Повний текст джерелаFurxhi, Irini, Finbarr Murphy, Martin Mullins, Athanasios Arvanitis, and Craig A. Poland. "Practices and Trends of Machine Learning Application in Nanotoxicology." Nanomaterials 10, no. 1 (January 8, 2020): 116. http://dx.doi.org/10.3390/nano10010116.
Повний текст джерелаPiñeiro-Yáñez, Elena, María José Jiménez-Santos, Gonzalo Gómez-López, and Fátima Al-Shahrour. "In Silico Drug Prescription for Targeting Cancer Patient Heterogeneity and Prediction of Clinical Outcome." Cancers 11, no. 9 (September 13, 2019): 1361. http://dx.doi.org/10.3390/cancers11091361.
Повний текст джерелаIwaniak, Anna, Małgorzata Darewicz, Damir Mogut, and Piotr Minkiewicz. "Elucidation of the role of in silico methodologies in approaches to studying bioactive peptides derived from foods." Journal of Functional Foods 61 (October 2019): 103486. http://dx.doi.org/10.1016/j.jff.2019.103486.
Повний текст джерелаAyaz, Shahid, and Vivek Asati. "In silico study for the identification of potential compounds as PIM-1 kinase inhibitors." Pharmaspire 14, no. 01 (2022): 01–09. http://dx.doi.org/10.56933/pharmaspire.2022.14101.
Повний текст джерелаArooj, Qudsia, Gregory J. Wilson, and Feng Wang. "Methodologies in Spectral Tuning of DSSC Chromophores through Rational Design and Chemical-Structure Engineering." Materials 12, no. 24 (December 4, 2019): 4024. http://dx.doi.org/10.3390/ma12244024.
Повний текст джерелаChikhale, Hemant U. "PERSPECTIVE INSIGHT AND APPLICATION OF IN-SILICO TOOL AS VIRTUAL SCREENING METHOD FOR LEAD DESIGNING AND DEVELOPMENT." Journal of Medical pharmaceutical and allied sciences 11, no. 6 (November 15, 2021): 16–24. http://dx.doi.org/10.22270/jmpas.v10i6.1908.
Повний текст джерелаDrummond, Michael L., Andrew Henry, Huifang Li, and Christopher I. Williams. "Improved Accuracy for Modeling PROTAC-Mediated Ternary Complex Formation and Targeted Protein Degradation via New In Silico Methodologies." Journal of Chemical Information and Modeling 60, no. 10 (September 24, 2020): 5234–54. http://dx.doi.org/10.1021/acs.jcim.0c00897.
Повний текст джерелаSantos, Joana, Miguel Cardoso, Irina S. Moreira, João Gonçalves, João D. G. Correia, Sandra Cabo Verde, and Rita Melo. "Integrated in Silico and Experimental Approach towards the Design of a Novel Recombinant Protein Containing an Anti-HER2 scFv." International Journal of Molecular Sciences 22, no. 7 (March 29, 2021): 3547. http://dx.doi.org/10.3390/ijms22073547.
Повний текст джерелаYadav, 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 джерелаDi Lorenzo, Chiara, Mario Dell'Agli, Elisa Colombo, Enrico Sangiovanni, and Patrizia Restani. "Metabolic Syndrome and Inflammation: A Critical Review ofIn Vitroand Clinical Approaches for Benefit Assessment of Plant Food Supplements." Evidence-Based Complementary and Alternative Medicine 2013 (2013): 1–10. http://dx.doi.org/10.1155/2013/782461.
Повний текст джерелаSchaack, Dominik, Markus A. Weigand, and Florian Uhle. "Comparison of machine-learning methodologies for accurate diagnosis of sepsis using microarray gene expression data." PLOS ONE 16, no. 5 (May 17, 2021): e0251800. http://dx.doi.org/10.1371/journal.pone.0251800.
Повний текст джерелаChen, Qi, Xianwen Meng, Qi Liao, and Ming Chen. "Versatile interactions and bioinformatics analysis of noncoding RNAs." Briefings in Bioinformatics 20, no. 5 (June 4, 2019): 1781–94. http://dx.doi.org/10.1093/bib/bby050.
Повний текст джерелаAgarwal, A., P. N. Pushparaj, G. Ahmad, M. Abu-Elmagd, M. Assidi, E. S. Sabanegh, and R. Sharma. "Deciphering the sperm proteins associated with infertility in men with hodgkin’s disease using mass spectrometry and in silico methodologies." Fertility and Sterility 108, no. 3 (September 2017): e192. http://dx.doi.org/10.1016/j.fertnstert.2017.07.567.
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 джерелаShukla, Pratibha, Deepa Deswal, Chandra S. Azad та Anudeep K. Narula. "Novel nucleosides as potential inhibitors of fungal lanosterol 14α-demethylase: an in vitro and in silico study". Future Medicinal Chemistry 11, № 20 (жовтень 2019): 2663–86. http://dx.doi.org/10.4155/fmc-2019-0014.
Повний текст джерелаRibeiro, Frederico F., Francisco J. B. M. Junior, Marcelo S. da Silva, Marcus Tullius Scotti, and Luciana Scotti. "Computational and Investigative Study of Flavonoids Active against Trypanosoma cruzi and Leishmania spp." Natural Product Communications 10, no. 6 (June 2015): 1934578X1501000. http://dx.doi.org/10.1177/1934578x1501000630.
Повний текст джерелаRam, Rebecca N., Domenico Gadaleta, and Timothy E. H. Allen. "The role of ‘big data’ and ‘in silico’ New Approach Methodologies (NAMs) in ending animal use – A commentary on progress." Computational Toxicology 23 (August 2022): 100232. http://dx.doi.org/10.1016/j.comtox.2022.100232.
Повний текст джерелаLee, Kyeonghee Monica, Richard Corley, Annie M. Jarabek, Nicole Kleinstreuer, Alicia Paini, Andreas O. Stucki, and Shannon Bell. "Advancing New Approach Methodologies (NAMs) for Tobacco Harm Reduction: Synopsis from the 2021 CORESTA SSPT—NAMs Symposium." Toxics 10, no. 12 (December 6, 2022): 760. http://dx.doi.org/10.3390/toxics10120760.
Повний текст джерелаCicaloni, Vittoria, Alfonso Trezza, Francesco Pettini, and Ottavia Spiga. "Applications of in Silico Methods for Design and Development of Drugs Targeting Protein-Protein Interactions." Current Topics in Medicinal Chemistry 19, no. 7 (May 31, 2019): 534–54. http://dx.doi.org/10.2174/1568026619666190304153901.
Повний текст джерелаParladé, Eloi, Eric Voltà-Durán, Olivia Cano-Garrido, Julieta M. Sánchez, Ugutz Unzueta, Hèctor López-Laguna, Naroa Serna, et al. "An In Silico Methodology That Facilitates Decision Making in the Engineering of Nanoscale Protein Materials." International Journal of Molecular Sciences 23, no. 9 (April 29, 2022): 4958. http://dx.doi.org/10.3390/ijms23094958.
Повний текст джерелаWu, Xunxun, Xiaokun Li, Chunxue Yang, and Yong Diao. "Target Characterization of Kaempferol against Myocardial Infarction Using Novel In Silico Docking and DARTS Prediction Strategy." International Journal of Molecular Sciences 22, no. 23 (November 29, 2021): 12908. http://dx.doi.org/10.3390/ijms222312908.
Повний текст джерелаJohnson, Dale. "Biotherapeutics: Challenges and Opportunities for Predictive Toxicology of Monoclonal Antibodies." International Journal of Molecular Sciences 19, no. 11 (November 21, 2018): 3685. http://dx.doi.org/10.3390/ijms19113685.
Повний текст джерелаZhou, Ying, Guoyou Gan, Jianhong Yi, Yumin Lai, Yingwu Wang, Jian Gao, and Zhiping Wang. "Research status of the rare and precious metals’ Materials Genome Initiative." Journal of Micromechanics and Molecular Physics 05, no. 02 (June 2020): 2040002. http://dx.doi.org/10.1142/s2424913020400020.
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