Academic literature on the topic 'AUTODOCK4'
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Journal articles on the topic "AUTODOCK4"
Valencia, Eduvan, Mauricio Galvis, Jorge Nisperuza, Vladimir Ballesteros, and Fredy Mesa. "In Silico Evaluation of Potential NDM-1 Inhibitors: An Integrated Docking and Molecular Dynamics Approach." Pharmaceuticals 17, no. 12 (2024): 1715. https://doi.org/10.3390/ph17121715.
Full textFlores, Doménica, and Carola Jerves. "Computational Comparison of the Binding Affinity of Selective and Nonselective NSAIDs to COX-2 Using Molecular Docking." Bionatura Journal 2, no. 2 (2025): 1–14. https://doi.org/10.70099/bj/2025.02.02.3.
Full textNguyen, Nguyen Thanh, Trung Hai Nguyen, T. Ngoc Han Pham, et al. "Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity." Journal of Chemical Information and Modeling 60, no. 1 (2019): 204–11. http://dx.doi.org/10.1021/acs.jcim.9b00778.
Full textCasbarra, Lorenzo, and Piero Procacci. "Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges." Journal of Computer-Aided Molecular Design 35, no. 6 (2021): 721–29. http://dx.doi.org/10.1007/s10822-021-00388-4.
Full textArcon, Juan Pablo, Carlos P. Modenutti, Demian Avendaño, et al. "AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions." Bioinformatics 35, no. 19 (2019): 3836–38. http://dx.doi.org/10.1093/bioinformatics/btz152.
Full textSarthak, Pal1 Meenu Chaudhary*2 Kanishak Kala3. "Autodock & Autodock Vina: Development, Capabilities, & Applications in Molecular Docking." International Journal of Pharmaceutical Sciences 3, no. 5 (2025): 3005–19. https://doi.org/10.5281/zenodo.15458275.
Full textSuwardi, Suwardi, Agus Salim, Raden Rara Fadhila Kirana Nugrahani, and Yolanda Amalia. "Molecular Docking and Dynamics Simulation for Searching Anti-Cancer Compounds of Piperlongumine Derivatives that Have Potential as an Inhibitor Against MAO-B (Monoamine Oxidase B)." Indonesian Journal of Chemistry and Environment 6, no. 1 (2023): 18–28. http://dx.doi.org/10.21831/ijoce.v6i1.61429.
Full textMorris, Garrett M., Ruth Huey, William Lindstrom, et al. "AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility." Journal of Computational Chemistry 30, no. 16 (2009): 2785–91. http://dx.doi.org/10.1002/jcc.21256.
Full textLestari, Ayu Rahmania, Irmanida Batubara, Setyanto Tri Wahyudi, and Auliya Ilmiawati. "Phenolic Compound in Garlic (Allium sativum) and Black Garlic Potency as Antigout Using Molecular Docking Approach." Jurnal Kimia Sains dan Aplikasi 25, no. 7 (2022): 253–63. http://dx.doi.org/10.14710/jksa.25.7.253-263.
Full textBelhocine, Youghourta, Seyfeddine Rahali, Hamza Allal, Ibtissem Meriem Assaba, Monira Galal Ghoniem та Fatima Adam Mohamed Ali. "A Dispersion Corrected DFT Investigation of the Inclusion Complexation of Dexamethasone with β-Cyclodextrin and Molecular Docking Study of Its Potential Activity against COVID-19". Molecules 26, № 24 (2021): 7622. http://dx.doi.org/10.3390/molecules26247622.
Full textDissertations / Theses on the topic "AUTODOCK4"
Cisse, Cheickna. "Etude structurale des aptamères peptidiques anti-Fur et de leur interaction avec leur cible." Phd thesis, Université de Grenoble, 2012. http://tel.archives-ouvertes.fr/tel-00846781.
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 textNadas, Janos Istvan. "Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex using AMBER and AUTODOCK." The Ohio State University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=osu1251145085.
Full textJesus, Éverton Mendonça de. "Adaptação e avaliação de triagem virtual em arquiteturas paralelas híbridas." Instituto de Matemática. Departamento de Ciência da Computação, 2016. http://repositorio.ufba.br/ri/handle/ri/22716.
Full textDI, DOMIZIO ALESSANDRO. "Development of methodologies for molecular docking and their applications." Doctoral thesis, Università degli Studi di Milano-Bicocca, 2009. http://hdl.handle.net/10281/7460.
Full textGhiasi, Zahra. "Development of a Computational Mechanism to Generate Molecules with Drug-likeCharacteristics." Ohio University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou162861276157897.
Full textÖsterberg, Fredrik. "Exploring Ligand Binding in HIV-1 Protease and K+ Channels Using Computational Methods." Doctoral thesis, Uppsala universitet, Strukturell molekylärbiologi, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-6167.
Full textChen, Sih-Yu. "Computational studies of biomolecules." Thesis, University of St Andrews, 2017. http://hdl.handle.net/10023/11064.
Full textTiwari, Rohit. "COMPUTATIONAL AND SYNTHETIC STUDIES ON ANTIMETABOLITES FOR ANTICANCER-, ANTIVIRAL-,AND ANTIBIOTIC DRUG DISCOVERY." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1267819591.
Full text邱姿蓉. "A docking study of complexes of colchicine binding site ligands and tubulin using autodock." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/36911874494563401848.
Full textBooks on the topic "AUTODOCK4"
Steve, Beats, Nesbitt Bryce, and Commodore-Amiga Inc, eds. Amiga ROM kernel reference manual: Includes and autodocs. Addison-Wesley, 1989.
Find full textPatel, Rajesh, and Vishal Mevada. Beginner`s Guide to Protein- Ligand Docking Using Autodock Vina: HOW to DOCK in 3 EASY STEPS USING AUTODOCK VINA Concise Guide to Docking. Independently Published, 2017.
Find full textCommodore-Amiga, Inc. Amiga Rom Kernel Reference Manual: Includes and Autodocs (Amiga Technical Reference Series). Addison-Wesley (C), 1991.
Find full textBook chapters on the topic "AUTODOCK4"
Bitencourt-Ferreira, Gabriela, Val Oliveira Pintro, and Walter Filgueira de Azevedo. "Docking with AutoDock4." In Methods in Molecular Biology. Springer New York, 2019. http://dx.doi.org/10.1007/978-1-4939-9752-7_9.
Full textHill, Anthony D., and Peter J. Reilly. "Scoring Functions for AutoDock." In Methods in Molecular Biology. Springer New York, 2015. http://dx.doi.org/10.1007/978-1-4939-2343-4_27.
Full textHart, William E., Chris Rosin, Richard K. Belew, and Garrett M. Morris. "Improved Evolutionary Hybrids for Flexible Ligand Docking in AutoDock." In Nonconvex Optimization and Its Applications. Springer US, 2000. http://dx.doi.org/10.1007/978-1-4757-3218-4_12.
Full textYang, Zhangfan, Kun Cao, Junkai Ji, Zexuan Zhu, and Jianqiang Li. "Adopting Autodock Koto for Virtual Screening of COVID-19." In Lecture Notes in Computer Science. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-4749-2_64.
Full textSchieffer, Gabin, and Ivy Peng. "Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores." In Euro-Par 2023: Parallel Processing. Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-39698-4_41.
Full textVarela-Salinas, Génesis, Carlos Armando García-Pérez, Rafael Peláez, and Adolfo J. Rodríguez. "Visual Clustering Approach for Docking Results from Vina and AutoDock." In Lecture Notes in Computer Science. Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-59650-1_29.
Full textKashid, Snehal, Ashish Suttee, and Prasad Kadam. "In Silico Prediction and Screening of Potential Immunomodulators Using Autodock Vina." In Techno-Societal 2022. Springer International Publishing, 2023. http://dx.doi.org/10.1007/978-3-031-34648-4_57.
Full textLiu, Zhuoran, Changsheng Zhang, Qidong Zhao, Bin Zhang, and Wenjuan Sun. "Comparative Study of Evolutionary Algorithms for Protein-Ligand Docking Problem on the AutoDock." In Simulation Tools and Techniques. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-32216-8_58.
Full textK, Rohini, and Shanthi V. "Receptor Cavity-Based Approach Combined with Autodock Protocol for the Screening of Antiviral Compounds from Streptomyces sp." In Methods in Actinobacteriology. Springer US, 2022. http://dx.doi.org/10.1007/978-1-0716-1728-1_39.
Full textEl-Hachem, Nehme, Benjamin Haibe-Kains, Athar Khalil, Firas H. Kobeissy, and Georges Nemer. "AutoDock and AutoDockTools for Protein-Ligand Docking: Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1(BACE1) as a Case Study." In Methods in Molecular Biology. Springer New York, 2017. http://dx.doi.org/10.1007/978-1-4939-6952-4_20.
Full textConference papers on the topic "AUTODOCK4"
Lonika, Charistika, Dono Indarto, and Amelya Augusthina Ayusari. "Roseoside from Lemon Fruits (<i>Citrus limon)</i> as a Potential Inhibitor of Cluster of Differentiation 36 for Obesity Treatment." In 8th International Conference on Advanced Material for Better Future. Trans Tech Publications Ltd, 2025. https://doi.org/10.4028/p-vo3mlu.
Full textAlsawaf, Shahed, Tuğba Bal, and Zihni Onur Çalışkaner. "EXPLORING THE POTENTIAL OF DRUG REPURPOSING AGAINST ABNORMALLY REGULATED CELL-MATRIX INTERACTIONS IN THE TREATMENT OF PANCREATIC CANCER (A COMPUTATIONAL STUDY)." In STRA International Conference on Engineering & Technology, 09-10 October 2024, Istanbul. Global Research & Development Services, 2024. https://doi.org/10.20319/icstr.2024.9192.
Full textKannan, Sarnath, and Raghavendra Ganji. "Porting Autodock to CUDA." In 2010 IEEE Congress on Evolutionary Computation (CEC). IEEE, 2010. http://dx.doi.org/10.1109/cec.2010.5586277.
Full textRakhshani, Hojjat, Lhassane Idoumghar, Julien Lepagnot, Mathieu Brevilliers, and Edward Keedwell. "Automatic hyperparameter selection in Autodock." In 2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2018. http://dx.doi.org/10.1109/bibm.2018.8621172.
Full textHisle, Mark S., Maxwell S. Meier, and David M. Toth. "Accelerating AutoDock Vina with Containerization." In PEARC '18: Practice and Experience in Advanced Research Computing. ACM, 2018. http://dx.doi.org/10.1145/3219104.3219154.
Full textSolis-Vasquez, Leonardo, Diogo Santos-Martins, Andreas Koch, and Stefano Forli. "Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking." In 2020 28th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP). IEEE, 2020. http://dx.doi.org/10.1109/pdp50117.2020.00031.
Full textLang Yu, Zhongzhi Luan, Xiangzheng Sun, Zhe Wang, and Hailong Yang. "VinaSC: Scalable Autodock Vina with fine-grained scheduling on heterogeneous platform." In 2016 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2016. http://dx.doi.org/10.1109/bibm.2016.7822624.
Full textDamayanti, Sophi, Andhika Bintang Mahardhika, Slamet Ibrahim, Wei Lim Chong, Vannajan Sanghiran Lee, and Daryono Hadi Tjahjono. "O-desmethylquinine as a cyclooxygenase-2 (COX-2) inhibitors using AutoDock Vina." In 3RD INTERNATIONAL CONFERENCE ON FUNDAMENTAL AND APPLIED SCIENCES (ICFAS 2014): Innovative Research in Applied Sciences for a Sustainable Future. AIP Publishing LLC, 2014. http://dx.doi.org/10.1063/1.4898452.
Full textBabu, M. Naresh, R. Bhramaramba, and Allam Appa Rao. "Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock." In the Second International Conference. ACM Press, 2012. http://dx.doi.org/10.1145/2393216.2393301.
Full textSrinivasu, Nulaka, K. V. V. Satyanarayana, and N. Gopala Krishna Murthy. "Structure based drug design studies on CDK2 amino pyrazole inhibitors using Autodock Tools." In 2014 Conference on IT in Business, Industry and Government (CSIBIG). IEEE, 2014. http://dx.doi.org/10.1109/csibig.2014.7056965.
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