Academic literature on the topic 'Ligand to protein docking'
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Journal articles on the topic "Ligand to protein docking"
Wang, Kai, Nan Lyu, Hongjuan Diao, et al. "GM-DockZn: a geometry matching-based docking algorithm for zinc proteins." Bioinformatics 36, no. 13 (2020): 4004–11. http://dx.doi.org/10.1093/bioinformatics/btaa292.
Full textBottegoni, Giovanni. "Protein-ligand docking." Frontiers in Bioscience 16, no. 1 (2011): 2289. http://dx.doi.org/10.2741/3854.
Full textVelesinović, Aleksandar, and Goran Nikolić. "Protein-protein interaction networks and protein-ligand docking: Contemporary insights and future perspectives." Acta Facultatis Medicae Naissensis 38, no. 1 (2021): 5–17. http://dx.doi.org/10.5937/afmnai38-28322.
Full textChakraborty, Sandeep. "DOCLASP - Docking ligands to target proteins using spatial and electrostatic congruence extracted from a known holoenzyme and applying simple geometrical transformations." F1000Research 3 (June 16, 2016): 262. http://dx.doi.org/10.12688/f1000research.5145.3.
Full textPérez, Carlos, and Angel R. Ortiz. "Evaluation of Docking Functions for Protein−Ligand Docking." Journal of Medicinal Chemistry 44, no. 23 (2001): 3768–85. http://dx.doi.org/10.1021/jm010141r.
Full textNg, Marcus C. K., Simon Fong, and Shirley W. I. Siu. "PSOVina: The hybrid particle swarm optimization algorithm for protein–ligand docking." Journal of Bioinformatics and Computational Biology 13, no. 03 (2015): 1541007. http://dx.doi.org/10.1142/s0219720015410073.
Full textXiao, Wei, Disha Wang, Zihao Shen, Shiliang Li, and Honglin Li. "Multi-Body Interactions in Molecular Docking Program Devised with Key Water Molecules in Protein Binding Sites." Molecules 23, no. 9 (2018): 2321. http://dx.doi.org/10.3390/molecules23092321.
Full textAziz, Fitri Kusvila, Cantika Nukitasari, Fauziyah Ardli Oktavianingrum, Lita Windy Aryati, and Broto Santoso. "Hasil In Silico Senyawa Z12501572, Z00321025, SCB5631028 dan SCB13970547 dibandingkan Turunan Zerumbon terhadap Human Liver Glycogen Phosphorylase (1l5Q) sebagai Antidiabetes." Jurnal Kimia VALENSI 2, no. 2 (2016): 120–24. http://dx.doi.org/10.15408/jkv.v2i2.4170.
Full textUlzurrun, Eugenia, Yorley Duarte, Esteban Perez-Wohlfeil, Fernando Gonzalez-Nilo, and Oswaldo Trelles. "PLIDflow: an open-source workflow for the online analysis of protein–ligand docking using galaxy." Bioinformatics 36, no. 14 (2020): 4203–5. http://dx.doi.org/10.1093/bioinformatics/btaa481.
Full textSulimov, Vladimir B., Danil C. Kutov, and Alexey V. Sulimov. "Advances in Docking." Current Medicinal Chemistry 26, no. 42 (2020): 7555–80. http://dx.doi.org/10.2174/0929867325666180904115000.
Full textDissertations / Theses on the topic "Ligand to protein docking"
Genheden, Samuel. "A fast protein-ligand docking method." Thesis, University of Skövde, School of Humanities and Informatics, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-69.
Full textTotrov, Maxim. "Computational studies on protein-ligand docking." Thesis, Open University, 1999. http://oro.open.ac.uk/58005/.
Full textClaußen, Holger. "Effizientes Protein-Ligand-Docking mit flexiblen Proteinstrukturen /." Sankt Augustin : GMD-Forschungszentrum Informationstechnik, 2001. http://www.gbv.de/dms/bs/toc/33264023X.pdf.
Full textOledzki, Peter Richard. "Developing a protein-ligand docking algorithm : FlexLigDock." Thesis, University of Leeds, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.435818.
Full textDatta, Deepshikha Goddard William A. "Protein-ligand interactions : docking, design and protein conformational change /." Diss., Pasadena, Calif. : California Institute of Technology, 2003. http://resolver.caltech.edu/CaltechETD:etd-03242003-111426.
Full textFischer, Bernhard Karl. "High throughput simulation methods for protein ligand docking." Karlsruhe : Forschungszentrum Karlsruhe, 2007. http://d-nb.info/985070374/34.
Full textFischer, Bernhard Karl [Verfasser]. "High throughput simulation methods for protein ligand docking / Bernhard Karl Fischer." Karlsruhe : Forschungszentrum Karlsruhe, 2007. http://d-nb.info/985070374/34.
Full textWang, Qi. "Protein-ligand Docking Application and Comparison using Discovery Studio and AutoDock." Thesis, North Dakota State University, 2017. https://hdl.handle.net/10365/28365.
Full textAndersson, David. "Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions." Doctoral thesis, Umeå universitet, Kemiska institutionen, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-35736.
Full textBuonfiglio, Rosa <1985>. "Computational strategies to include protein flexibility in Ligand Docking and Virtual Screening." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6330/.
Full textBooks on the topic "Ligand to protein docking"
Gohlke, Holger, ed. Protein-Ligand Interactions. Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527645947.
Full textWilliams, Mark A., and Tina Daviter, eds. Protein-Ligand Interactions. Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-398-5.
Full textNienhaus, G. Ulrich. Protein-Ligand Interactions. Humana Press, 2005. http://dx.doi.org/10.1385/1592599125.
Full textDaviter, Tina, Christopher M. Johnson, Stephen H. McLaughlin, and Mark A. Williams, eds. Protein-Ligand Interactions. Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-1197-5.
Full textHelmsen, Sabine. Protein-Ligand-, Protein-Inhibitor- und Protein-Protein-Wechselwirkungen. Springer Fachmedien Wiesbaden, 2020. http://dx.doi.org/10.1007/978-3-658-30151-4.
Full textPress, Humana, ed. Protein-ligand interactions: Methods and applications. Humana Press, 2010.
Find full textBallante, Flavio, ed. Protein-Ligand Interactions and Drug Design. Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-1209-5.
Full textRoterman-Konieczna, Irena, ed. Identification of Ligand Binding Site and Protein-Protein Interaction Area. Springer Netherlands, 2013. http://dx.doi.org/10.1007/978-94-007-5285-6.
Full textNATO ASI/FEBS Course on DNA-Ligand Interactions: From Drugs to Proteins (1986 Abbey of Fontevraud). DNA-ligand interactions: From drugs to proteins. Plenum Press, 1987.
Find full textBook chapters on the topic "Ligand to protein docking"
Slynko, Inna, Didier Rognan, and Esther Kellenberger. "Protein-Ligand Docking." In Tutorials in Chemoinformatics. John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781119161110.ch22.
Full textRueda, Manuel, and Ruben Abagyan. "Embracing Protein Plasticity in Ligand Docking." In Protein-Ligand Interactions. Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527645947.ch14.
Full textPeh, Sally Chen Woon, and Jer Lang Hong. "Protein Ligand Docking Using Simulated Jumping." In Computational Science and Its Applications -- ICCSA 2016. Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-42111-7_1.
Full textBienstock, Rachelle J. "Solvation Methods for Protein–Ligand Docking." In Methods in Molecular Biology. Springer New York, 2015. http://dx.doi.org/10.1007/978-1-4939-2486-8_1.
Full textCao, Yang, Wentao Dai, and Zhichao Miao. "Evaluation of Protein–Ligand Docking by Cyscore." In Methods in Molecular Biology. Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-7756-7_12.
Full textKim, Chong-Min, Chung-In Won, Jae-Kwan Kim, Joonghyun Ryu, Jong Bhak, and Deok-Soo Kim. "Protein-Ligand Docking Based on Beta-Shape." In Transactions on Computational Science IX. Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-16007-3_6.
Full textArcon, Juan Pablo, Adrián G. Turjanski, Marcelo A. Martí, and Stefano Forli. "Biased Docking for Protein–Ligand Pose Prediction." In Methods in Molecular Biology. Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-1209-5_3.
Full textBottegoni, Giovanni, Walter Rocchia, and Andrea Cavalli. "Application of Conformational Clustering in Protein–Ligand Docking." In Methods in Molecular Biology. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-61779-465-0_12.
Full textJanin, Joël. "Docking Predictions of Protein-Protein Interactions and Their Assessment: The CAPRI Experiment." In Identification of Ligand Binding Site and Protein-Protein Interaction Area. Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-5285-6_5.
Full textKuzu, Guray, Ozlem Keskin, Attila Gursoy, and Ruth Nussinov. "Expanding the Conformational Selection Paradigm in Protein-Ligand Docking." In Methods in Molecular Biology. Springer New York, 2011. http://dx.doi.org/10.1007/978-1-61779-465-0_5.
Full textConference papers on the topic "Ligand to protein docking"
Kim, Chong-Min, Chung-In Won, Joonghyun Ryu, Jae-Kwan Kim, Jong Bhak, and Deok-Soo Kim. "Protein-Ligand Docking Based on ß-shape." In 2009 Sixth International Symposium on Voronoi Diagrams (ISVD). IEEE, 2009. http://dx.doi.org/10.1109/isvd.2009.27.
Full textAtilgan, Emrah, and Jianjun Hu. "Efficient protein-ligand docking using sustainable evolutionary algorithms." In 2010 10th International Conference on Hybrid Intelligent Systems (HIS 2010). IEEE, 2010. http://dx.doi.org/10.1109/his.2010.5600082.
Full textPakpahan, M. T., M. Rusmerryani, K. Kawaguchi, H. Saito, and H. Nagao. "Evaluation of scoring functions for protein-ligand docking." In 4TH INTERNATIONAL SYMPOSIUM ON SLOW DYNAMICS IN COMPLEX SYSTEMS: Keep Going Tohoku. American Institute of Physics, 2013. http://dx.doi.org/10.1063/1.4794652.
Full textChun-Wei Tsai, Jui-Le Chen, and Chu-Sing Yang. "An improved LGA for protein-ligand docking prediction." In 2012 IEEE Congress on Evolutionary Computation (CEC). IEEE, 2012. http://dx.doi.org/10.1109/cec.2012.6256513.
Full textAtilgan, Emrah, and Jianjun Hu. "Efficient protein-ligand docking using sustainable evolutionary algorithm." In the 12th annual conference. ACM Press, 2010. http://dx.doi.org/10.1145/1830483.1830521.
Full textMirzaei, Hanieh, Elizabeth Villar, Scott Mottarella, et al. "Flexible refinement of protein-ligand docking on manifolds." In 2013 IEEE 52nd Annual Conference on Decision and Control (CDC). IEEE, 2013. http://dx.doi.org/10.1109/cdc.2013.6760077.
Full textRakshit, Pratyusha, Amit Konar, Archana Chowdhury, Eunjin Kim, and Atulya K. Nagar. "Muti-objective evolutionary approach of ligand design for protein-ligand docking problem." In 2013 IEEE Congress on Evolutionary Computation (CEC). IEEE, 2013. http://dx.doi.org/10.1109/cec.2013.6557576.
Full textAbramson, David, Celine Amoreira, Kim Baldridge, Laura Berstis, Chris Kondrick, and Tom Peachey. "A Flexible Grid Framework for Automatic Protein-Ligand Docking." In 2006 Second IEEE International Conference on e-Science and Grid Computing (e-Science'06). IEEE, 2006. http://dx.doi.org/10.1109/e-science.2006.261131.
Full textNarloch, Pedro Henrique, and Marcio Dorn. "Rosetta Ligand-Protein Docking with Self-Adaptive Differential Evolution." In 2019 IEEE 19th International Conference on Bioinformatics and Bioengineering (BIBE). IEEE, 2019. http://dx.doi.org/10.1109/bibe.2019.00014.
Full textSapundzhi, Fatima, Krasimira Prodanova, and Meglena Lazarova. "Survey of the scoring functions for protein-ligand docking." In PROCEEDINGS OF THE 45TH INTERNATIONAL CONFERENCE ON APPLICATION OF MATHEMATICS IN ENGINEERING AND ECONOMICS (AMEE’19). AIP Publishing, 2019. http://dx.doi.org/10.1063/1.5133601.
Full textReports on the topic "Ligand to protein docking"
Morris, Garrett, M., Richard K. Belew, Chris Rosin, and William Eugene Hart. Evolutionary hybrids for flexible ligand docking : (electronic notes). Office of Scientific and Technical Information (OSTI), 1999. http://dx.doi.org/10.2172/1028898.
Full textBrummer, Tilman, and Roger J. Daly. The Role of the GAB2 Docking Protein in Human Breast Cancer. Defense Technical Information Center, 2004. http://dx.doi.org/10.21236/ada428979.
Full textShin, Seung-Uon. Antibody-NKG2D Ligand (Rae-1Beta) Fusion Protein for Breast Cancer Therapy. Defense Technical Information Center, 2005. http://dx.doi.org/10.21236/ada446435.
Full textMontal, Mauricio. Channel Protein Engineering: A Novel Approach towards the Molecular Dissection Determinants in Ligand-Regulated Channels. Defense Technical Information Center, 1990. http://dx.doi.org/10.21236/ada219134.
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