Academic literature on the topic 'Prediction of binding affinity'
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Journal articles on the topic "Prediction of binding affinity"
Kondabala, Rajesh, Vijay Kumar, Amjad Ali, and Manjit Kaur. "A novel astrophysics-based framework for prediction of binding affinity of glucose binder." Modern Physics Letters B 34, no. 31 (2020): 2050346. http://dx.doi.org/10.1142/s0217984920503467.
Full textKwon, Yongbeom, Woong-Hee Shin, Junsu Ko, and Juyong Lee. "AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks." International Journal of Molecular Sciences 21, no. 22 (2020): 8424. http://dx.doi.org/10.3390/ijms21228424.
Full textAntunes, Dinler A., Jayvee R. Abella, Didier Devaurs, Maurício M. Rigo, and Lydia E. Kavraki. "Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes." Current Topics in Medicinal Chemistry 18, no. 26 (2019): 2239–55. http://dx.doi.org/10.2174/1568026619666181224101744.
Full textWang, Debby D., Haoran Xie, and Hong Yan. "Proteo-chemometrics interaction fingerprints of protein–ligand complexes predict binding affinity." Bioinformatics 37, no. 17 (2021): 2570–79. http://dx.doi.org/10.1093/bioinformatics/btab132.
Full textHan, Rong, Xiaohong Liu, Tong Pan, et al. "CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction." Proceedings of the AAAI Conference on Artificial Intelligence 39, no. 1 (2025): 246–54. https://doi.org/10.1609/aaai.v39i1.32001.
Full textNguyen, Austin, Abhinav Nellore, and Reid F. Thompson. "Discordant results among major histocompatibility complex binding affinity prediction tools." F1000Research 12 (June 7, 2023): 617. http://dx.doi.org/10.12688/f1000research.132538.1.
Full textShar, Piar Ali, Weiyang Tao, Shuo Gao, et al. "Pred-binding: large-scale protein–ligand binding affinity prediction." Journal of Enzyme Inhibition and Medicinal Chemistry 31, no. 6 (2016): 1443–50. http://dx.doi.org/10.3109/14756366.2016.1144594.
Full textHusnul, Khotimah, Jatmiko Widy, Nur Azizah Dita та ін. "Prediction of drug candidate from Rosmarinus officinalis L to inhibit IL-6R, IL-1R1, and TNF-α: In silico study". World Journal of Advanced Research and Reviews 21, № 2 (2024): 252–60. https://doi.org/10.5281/zenodo.13995362.
Full textWang, Xun, Dayan Liu, Jinfu Zhu, Alfonso Rodriguez-Paton, and Tao Song. "CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction." Biomolecules 11, no. 5 (2021): 643. http://dx.doi.org/10.3390/biom11050643.
Full textLangham, James J., Ann E. Cleves, Russell Spitzer, Daniel Kirshner, and Ajay N. Jain. "Physical Binding Pocket Induction for Affinity Prediction." Journal of Medicinal Chemistry 52, no. 19 (2009): 6107–25. http://dx.doi.org/10.1021/jm901096y.
Full textDissertations / Theses on the topic "Prediction of binding affinity"
Jovanovic, Srdan. "Rapid, precise and reproducible binding affinity prediction : applications in drug discovery." Thesis, University College London (University of London), 2018. http://discovery.ucl.ac.uk/10053853/.
Full textUslan, Volkan. "Support vector machine-based fuzzy systems for quantitative prediction of peptide binding affinity." Thesis, De Montfort University, 2015. http://hdl.handle.net/2086/11170.
Full textBodnarchuk, Michael. "Predicting the location and binding affinity of small molecules in protein binding sites." Thesis, University of Southampton, 2012. https://eprints.soton.ac.uk/348170/.
Full textErdas, Ozlem. "Modelling And Predicting Binding Affinity Of Pcp-like Compounds Using Machine Learning Methods." Master's thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/3/12608792/index.pdf.
Full textGuedes, Isabella Alvim. "Development of empirical scoring funcions forn predicting proteinligand binding affinity." Laboratório Nacional de Computação Científica, 2016. https://tede.lncc.br/handle/tede/247.
Full textMatereke, Lavious Tapiwa. "Analysis of predictive power of binding affinity of PBM-derived sequences." Thesis, Rhodes University, 2015. http://hdl.handle.net/10962/d1018666.
Full textYoldas, Mine. "Predicting The Effect Of Hydrophobicity Surface On Binding Affinity Of Pcp-like Compounds Using Machine Learning Methods." Master's thesis, METU, 2011. http://etd.lib.metu.edu.tr/upload/12613215/index.pdf.
Full textShoemake, Claire. "The use of static and dynamic models for the prediction of ligand binding affinity using oestrogen and androgen nuclear receptors as case studies." Thesis, University of Nottingham, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.478985.
Full textAtkovska, Kalina, Sergey A. Samsonov, Maciej Paszkowski-Rogacz, and M. Teresa Pisabarro. "Multipose Binding in Molecular Docking." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-147177.
Full textNordesjö, Olle. "Searching for novel protein-protein specificities using a combined approach of sequence co-evolution and local structural equilibration." Thesis, Uppsala universitet, Institutionen för biologisk grundutbildning, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-275040.
Full textBooks on the topic "Prediction of binding affinity"
Rastogi, Chaitanya. Accurate and Sensitive Quantification of Protein-DNA Binding Affinity. [publisher not identified], 2017.
Find full textNaples, Mark. Determinants of high affinity ligand binding to the group III metabotropic glutamate receptors. National Library of Canada, 2001.
Find full text1958-, McMahon Robert Joseph, ed. Avidin-biotin interactions: Methods and applications. Humana, 2008.
Find full textMarles, Jennifer Anne. Significance of the ligand-binding affinity of the Sho1 SH3 domain for in vivo function. National Library of Canada, 2003.
Find full text1958-, McMahon Robert Joseph, ed. Avidin-biotin interactions: Methods and applications. Humana, 2008.
Find full textMantovaara, Tuula. The use of calcium (II) and cobalt (II) as adsorbents in immobilized metal ion affinity purification. Uppsala University, 1990.
Find full textPuvvada, Madhu. Investigation into the relationship between DNA-binding affinity, sequence-specificity and biological activity in the pyrrolo[2,1-c][1,4]benzodiazepine group of antitumour antibiotics. University of Portsmouth, Division of Medicinal Chemistry, 1995.
Find full textMarelius, John. Computational Prediction of Receptor-Ligand Binding Affinity in Drug Discovery. Uppsala Universitet, 2000.
Find full textVerotoxin-globotriosylceramide binding: Receptor affinity purification and the effect of membrane environment on toxin binding. National Library of Canada, 1993.
Find full textBook chapters on the topic "Prediction of binding affinity"
Takaba, Kenichiro. "Application of FMO for Protein–ligand Binding Affinity Prediction." In Recent Advances of the Fragment Molecular Orbital Method. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-15-9235-5_13.
Full textLu, Yaoyao, Junkai Liu, Tengsheng Jiang, Shixuan Guan, and Hongjie Wu. "Protein-Ligand Binding Affinity Prediction Based on Deep Learning." In Intelligent Computing Theories and Application. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-13829-4_26.
Full textAsha, P. R., and M. S. Vijaya. "Binding Affinity Prediction Models for Spinocerebellar Ataxia Using Supervised Learning." In Communications in Computer and Information Science. Springer Singapore, 2018. http://dx.doi.org/10.1007/978-981-13-1423-0_17.
Full textLiu, Wen, Ji Wan, Xiangshan Meng, Darren R. Flower, and Tongbin Li. "In Silico Prediction of Peptide-MHC Binding Affinity Using SVRMHC." In Methods in Molecular Biology. Humana Press, 2007. http://dx.doi.org/10.1007/978-1-60327-118-9_20.
Full textLi, Xueling, Min Zhu, Xiaolai Li, Hong-Qiang Wang, and Shulin Wang. "Protein-Protein Binding Affinity Prediction Based on an SVR Ensemble." In Lecture Notes in Computer Science. Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-31588-6_19.
Full textXie, Zhiqi, Zipeng Fan, Peng Zhang, and Qianxi Lin. "CroMamba-DTA: Cross-Mamba for Drug-Target Binding Affinity Prediction." In Lecture Notes in Computer Science. Springer Nature Singapore, 2025. https://doi.org/10.1007/978-981-95-0027-7_37.
Full textBogdanova, Elizaveta A., Valery N. Novoseletsky, and Konstantin V. Shaitan. "Binding Affinity Prediction in Protein-Protein Complexes Using Convolutional Neural Network." In Advances in Neural Computation, Machine Learning, and Cognitive Research VII. Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-44865-2_42.
Full textNikam, Rahul, K. Yugandhar, and M. Michael Gromiha. "Discrimination and Prediction of Protein-Protein Binding Affinity Using Deep Learning Approach." In Intelligent Computing Theories and Application. Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-95933-7_89.
Full textXia, Minghao, Jing Hu, Xiaolong Zhang, and Xiaoli Lin. "Drug-Target Binding Affinity Prediction Based on Graph Neural Networks and Word2vec." In Intelligent Computing Theories and Application. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-13829-4_43.
Full textAzzopardi, Joseph, and Jean Paul Ebejer. "LigityScore: A CNN-Based Method for Binding Affinity Predictions." In Biomedical Engineering Systems and Technologies. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-20664-1_2.
Full textConference papers on the topic "Prediction of binding affinity"
Rose, Tyler, Charlotte Zhou, and Nicolò Monti. "AffinityLM: Binding-Site Informed Multitask Language Model for Drug-Target Affinity Prediction." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10822722.
Full textWu, Yulong, Jin Xie, Jing Nie, Xiaohong Zhang, and Yuansong Zeng. "Mamba-DTA: Drug-Target Binding Affinity Prediction with State Space Model." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10822594.
Full textTu, Xinyi, Zhe Li, and Wenbin Lin. "SE-DTA: A Spatial Equivariant Network for Drug-Target Binding Affinity Prediction." In 2024 9th International Conference on Intelligent Computing and Signal Processing (ICSP). IEEE, 2024. http://dx.doi.org/10.1109/icsp62122.2024.10743565.
Full textWu, Yulong, Jin Xie, Jing Nie, Jian Hu, and Yuansong Zeng. "Dual Interaction and Kernel-Diverse Network for Accurate Drug-Target Binding Affinity Prediction." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10822466.
Full textPrasika, L., Karish Prajaishma G R, and Yoga Vardhani M. "Improved Molecular Binding Affinity Prediction using Deep Learning through Integration of Chemical Structure." In 2024 International Conference on Control, Computing, Communication and Materials (ICCCCM). IEEE, 2024. https://doi.org/10.1109/iccccm61016.2024.11039915.
Full textZheng, Jiangbin, Qianhui Xu, Ruichen Xia, and Stan Z. Li. "DapPep: Domain Adaptive Peptide-agnostic Learning for Universal T-cell Receptor-antigen Binding Affinity Prediction." In ICASSP 2025 - 2025 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP). IEEE, 2025. https://doi.org/10.1109/icassp49660.2025.10888436.
Full textSeo, Sangmin, Seungyeon Choi, Hwanhee Kim, and Sanghyun Park. "PretrainedBA: Enhancing Compound-Protein Binding Affinity Prediction Accuracy via Pre-training Large-Scale Interaction Information." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10821938.
Full textSong, Tao, Siyu Zhang, Xiangyu Meng, Zeyang Zhu, Xianxi Zhu, and Xun Wang. "DCUI-MGraphDTA: Enabling Efficient Inference of a Drug-Target Binding Affinity Prediction Model on DCUs." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10821809.
Full textLv, Xing, Weizhong Zhao, Xinhui Tu, and Tingting He. "Predicting Protein-ligand Binding Affinity via Molecular Mechanics-guided Graph Aggregation." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10822564.
Full textLi, Huiting, Weiyu Zhang, Yong Shang, and Wenpeng Lu. "MBC-DTA: A Multi-Scale Bilinear Attention with Contrastive Learning Framework for Drug-Target Binding Affinity Prediction." In 2024 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2024. https://doi.org/10.1109/bibm62325.2024.10822403.
Full textReports on the topic "Prediction of binding affinity"
Warren, H. S. Purification of LPS Binding Factors in Tolerant Serum by Affinity Chromatography. Defense Technical Information Center, 1991. http://dx.doi.org/10.21236/ada233638.
Full textReiff, Emily A., and Gunda I. Georg. Construction of Affinity Probes to Study the Epothilone Binding Site on Tubulin. Defense Technical Information Center, 2003. http://dx.doi.org/10.21236/ada416670.
Full textStratis-Cullum, Dimitra N., Sun McMasters, and Paul M. Pellegrino. Affinity Probe Capillary Electrophoresis Evaluation of Aptamer Binding to Campylobacter jejuni Bacteria. Defense Technical Information Center, 2009. http://dx.doi.org/10.21236/ada512469.
Full textFresco, Jacques R. Development of affinity technology for isolating individual human chromosomes by third strand binding. Office of Scientific and Technical Information (OSTI), 2003. http://dx.doi.org/10.2172/820632.
Full textPattabiraman, Nagarajan, Carolyn Chambers, Ayesha Adil, and Gregory E. Garcia. Identification of Small Molecules against Botulinum Neurotoxin B Binding to Neuronal Cells at Ganglioside GT1b Binding Site with Low to Moderate Affinity. Defense Technical Information Center, 2014. http://dx.doi.org/10.21236/ada612876.
Full textChefetz, Benny, Baoshan Xing, and Yona Chen. Interactions of engineered nanoparticles with dissolved organic matter (DOM) and organic contaminants in water. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7699863.bard.
Full textCrocker, Fiona, Lyndsay Carrigee, Kayla Clark, and Karl Indest. Peptide display for rare earth element binding. Engineer Research and Development Center (U.S.), 2025. https://doi.org/10.21079/11681/49647.
Full textHonzatko, Richard, Scott Nelson, Manvi Kapur, Shatabdi Sen та Olivia Gray. Structural Basis for Differential Affinity and Competitive Binding of DNA Polymerase Peptides to the Mycobacterial β-Clamp. ResearchHub Technologies, Inc., 2025. https://doi.org/10.55277/researchhub.ol79cdw8.1.
Full textHonzatko, Richard, Scott Nelson, Manvi Kapur, Shatabdi Sen та Olivia Gray. Structural Basis for Differential Affinity and Competitive Binding of DNA Polymerase Peptides to the Mycobacterial β-Clamp. ResearchHub Technologies, Inc., 2025. https://doi.org/10.55277/rhj.cqzht3xe.2.
Full textNelson, Scott, Manvi Kapur, Olivia J. Gray, Richard B. Honzatko та Shatabdi Sen. Structural Basis for Differential Affinity and Competitive Binding of DNA Polymerase Peptides to the Mycobacterial β-Clamp. ResearchHub Technologies, Inc., 2025. https://doi.org/10.55277/rhj.cqzht3xe.1.
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