Статті в журналах з теми "Docking inverse"
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Darme, Pierre, Manuel Dauchez, Arnaud Renard, Laurence Voutquenne-Nazabadioko, Dominique Aubert, Sandie Escotte-Binet, Jean-Hugues Renault, Isabelle Villena, Luiz-Angelo Steffenel, and Stéphanie Baud. "AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability." International Journal of Molecular Sciences 22, no. 14 (July 13, 2021): 7489. http://dx.doi.org/10.3390/ijms22147489.
Kammer, Daniel C., and Adam D. Steltzner. "Structural Identification of Mir Using Inverse System Dynamics and Mir/Shuttle Docking Data." Journal of Vibration and Acoustics 123, no. 2 (December 1, 2000): 230–37. http://dx.doi.org/10.1115/1.1355030.
Kim, Stephanie S., Melanie L. Aprahamian, and Steffen Lindert. "Improving inverse docking target identification with Z ‐score selection." Chemical Biology & Drug Design 93, no. 6 (January 2, 2019): 1105–16. http://dx.doi.org/10.1111/cbdd.13453.
Perez, German, Marcello Mascini, Valentina Lanzone, Manuel Sergi, Michele Del Carlo, Mauro Esposito, and Dario Compagnone. "Peptides Trapping Dioxins: A Docking-Based Inverse Screening Approach." Journal of Chemistry 2013 (2013): 1–8. http://dx.doi.org/10.1155/2013/491827.
Ma, Zhiwei, Xianjin Xu, and Xiaoqin Zou. "MDockServer: An Efficient Docking Platform for Inverse Virtual Screening." Biophysical Journal 114, no. 3 (February 2018): 56a. http://dx.doi.org/10.1016/j.bpj.2017.11.358.
Xu, Xianjin, Marshal Huang, and Xiaoqin Zou. "Docking-based inverse virtual screening: methods, applications, and challenges." Biophysics Reports 4, no. 1 (February 2018): 1–16. http://dx.doi.org/10.1007/s41048-017-0045-8.
Russo, Silvana, and Walter Filgueira De Azevedo. "Advances in the Understanding of the Cannabinoid Receptor 1 – Focusing on the Inverse Agonists Interactions." Current Medicinal Chemistry 26, no. 10 (June 20, 2019): 1908–19. http://dx.doi.org/10.2174/0929867325666180417165247.
Kamal, Ahmed A. M., Lucia Petrera, Jens Eberhard, and Rolf W. Hartmann. "Structure–functionality relationship and pharmacological profiles of Pseudomonas aeruginosa alkylquinolone quorum sensing modulators." Organic & Biomolecular Chemistry 15, no. 21 (2017): 4620–30. http://dx.doi.org/10.1039/c7ob00263g.
Kämper, Andreas, Joannis Apostolakis, Matthias Rarey, Christel M. Marian, and Thomas Lengauer. "Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies." Journal of Chemical Information and Modeling 46, no. 2 (March 2006): 903–11. http://dx.doi.org/10.1021/ci050467z.
Ban, Tomohiro, Masahito Ohue, and Yutaka Akiyama. "Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem." Computational Biology and Chemistry 73 (April 2018): 139–46. http://dx.doi.org/10.1016/j.compbiolchem.2018.02.008.
Hui-fang, Liu, Shen Qing, Zhang Jian, and Fu Wei. "Evaluation of various inverse docking schemes in multiple targets identification." Journal of Molecular Graphics and Modelling 29, no. 3 (November 2010): 326–30. http://dx.doi.org/10.1016/j.jmgm.2010.09.004.
ZHANG, MING, LIQUN WANG, and RONALD GOLDMAN. "BÉZIER SUBDIVISION FOR INVERSE MOLECULAR KINEMATICS." International Journal of Computational Geometry & Applications 16, no. 05n06 (December 2006): 513–32. http://dx.doi.org/10.1142/s0218195906002166.
Chen, Shao-Jun, and Ji-Long Ren. "Identification of a Potential Anticancer Target of Danshensu by Inverse Docking." Asian Pacific Journal of Cancer Prevention 15, no. 1 (January 15, 2014): 111–16. http://dx.doi.org/10.7314/apjcp.2014.15.1.111.
Vasseur, Romain, Stéphanie Baud, Luiz Angelo Steffenel, Xavier Vigouroux, Laurent Martiny, Michaël Krajecki, and Manuel Dauchez. "Inverse docking method for new proteins targets identification: A parallel approach." Parallel Computing 42 (February 2015): 48–59. http://dx.doi.org/10.1016/j.parco.2014.09.008.
Zhou, Wanmeng, Hua Wang, Douglas Thomson, Guojin Tang, and Fan Zhang. "Inverse simulation system for evaluating handling qualities during rendezvous and docking." Acta Astronautica 137 (August 2017): 461–71. http://dx.doi.org/10.1016/j.actaastro.2017.05.011.
Grinter, Sam Z., Yayun Liang, Sheng-You Huang, Salman M. Hyder, and Xiaoqin Zou. "An inverse docking approach for identifying new potential anti-cancer targets." Journal of Molecular Graphics and Modelling 29, no. 6 (April 2011): 795–99. http://dx.doi.org/10.1016/j.jmgm.2011.01.002.
Kores, Katarina, Zala Kolenc, Veronika Furlan, and Urban Bren. "Inverse Molecular Docking Elucidating the Anticarcinogenic Potential of the Hop Natural Product Xanthohumol and Its Metabolites." Foods 11, no. 9 (April 26, 2022): 1253. http://dx.doi.org/10.3390/foods11091253.
Wilde, Markus, Marco Ciarcià, Alessio Grompone, and Marcello Romano. "Experimental Characterization of Inverse Dynamics Guidance in Docking with a Rotating Target." Journal of Guidance, Control, and Dynamics 39, no. 6 (June 2016): 1173–87. http://dx.doi.org/10.2514/1.g001631.
Kores, Katarina, Samo Lešnik, Urban Bren, Dušanka Janežič, and Janez Konc. "Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking." Journal of Chemical Information and Modeling 59, no. 5 (March 18, 2019): 2467–78. http://dx.doi.org/10.1021/acs.jcim.8b00981.
Mani, Vasudevan, Minhajul Arfeen, Syed Imam Rabbani, Ali Shariq, and Palanisamy Amirthalingam. "Levetiracetam Ameliorates Doxorubicin-Induced Chemobrain by Enhancing Cholinergic Transmission and Reducing Neuroinflammation Using an Experimental Rat Model and Molecular Docking Study." Molecules 27, no. 21 (October 29, 2022): 7364. http://dx.doi.org/10.3390/molecules27217364.
Xi, Lin, Huasheng Ni, Buyun Wang, Zengchan Li, and Chenghao Zhang. "Dynamic Synthesis of Three−Point Circle Peripheral Docking Technology Pose." Applied Sciences 13, no. 4 (February 19, 2023): 2685. http://dx.doi.org/10.3390/app13042685.
GLAS-ALBRECHT, RENÉ, BIRGIT KAESBERG, GERD KNOLL, KARL ALLMANN, REGINA PAPE, and HELMUT PLATTNER. "Synchronised Secretory Organelle Docking in Paramecium." Journal of Cell Science 100, no. 1 (September 1, 1991): 45–54. http://dx.doi.org/10.1242/jcs.100.1.45.
Wu, Qinhang, Gang Bao, Yang Pan, Xiaoqi Qian, and Furong Gao. "Discovery of potential targets of Triptolide through inverse docking in ovarian cancer cells." PeerJ 8 (March 18, 2020): e8620. http://dx.doi.org/10.7717/peerj.8620.
Zhou, Wanmeng, Hua Wang, Dateng Yu, and Fuyu Sun. "Error Analysis and Modification of Inverse Simulation for Manually Controlled Rendezvous and Docking." Journal of Aerospace Engineering 30, no. 1 (January 2017): 04016072. http://dx.doi.org/10.1061/(asce)as.1943-5525.0000662.
Choi, Youngjin. "In silico target identification of biologically active compounds using an inverse docking simulation." TANG [HUMANITAS MEDICINE] 3, no. 2 (May 31, 2013): 12.1–12.4. http://dx.doi.org/10.5667/tang.2013.0008.
Raied, Mustafa Shakir, Abed Saoud Shaimaa, Faruk Hussain Dhuha, Fahad Ali Khalid, Shawqi Algburi Firas, and Salman Jasim Husam. "Synthesis, Antioxidant ability and Docking study for new 4,4'-((2-(Aryl)-1H-benzo[d]imidazole-1,3(2H)-diyl)bis(methylene))diphenol)." Research Journal of Chemistry and Environment 26, no. 10 (September 25, 2022): 28–36. http://dx.doi.org/10.25303/2610rjce028036.
Furlan, Veronika, Janez Konc, and Urban Bren. "Inverse Molecular Docking as a Novel Approach to Study Anticarcinogenic and Anti-Neuroinflammatory Effects of Curcumin." Molecules 23, no. 12 (December 18, 2018): 3351. http://dx.doi.org/10.3390/molecules23123351.
Sun, Deyuan, Junyi Wang, Zhigang Xu, Jianwen Bao, and Han Lu. "Research on Human-Robot Collaboration Method for Parallel Robots Oriented to Segment Docking." Sensors 24, no. 6 (March 8, 2024): 1747. http://dx.doi.org/10.3390/s24061747.
SAKK, ERIC. "ON THE COMPUTATION OF MOLECULAR SURFACE CORRELATIONS FOR PROTEIN DOCKING USING FOURIER TECHNIQUES." Journal of Bioinformatics and Computational Biology 05, no. 04 (August 2007): 915–35. http://dx.doi.org/10.1142/s0219720007002916.
Bhardwaj, Prashant, G. P. Biswas, and Biswanath Bhunia. "Docking-based inverse virtual screening strategy for identification of novel protein targets for triclosan." Chemosphere 235 (November 2019): 976–84. http://dx.doi.org/10.1016/j.chemosphere.2019.07.027.
Zhou, Wanmeng, Hua Wang, Guojin Tang, and Shuai Guo. "Inverse simulation system for manual-controlled rendezvous and docking based on artificial neural network." Advances in Space Research 58, no. 6 (September 2016): 938–49. http://dx.doi.org/10.1016/j.asr.2016.05.039.
Zhou, Wanmeng, and Hua Wang. "Researches on inverse simulation’s applications in teleoperation rendezvous and docking based on hyper-ellipsoidal restricted model predictive control for inverse simulation structure." Proceedings of the Institution of Mechanical Engineers, Part G: Journal of Aerospace Engineering 229, no. 9 (November 4, 2014): 1675–89. http://dx.doi.org/10.1177/0954410014558320.
Ribone, Sergio R., S. Alexis Paz, Cameron F. Abrams, and Marcos A. Villarreal. "Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking." Journal of Computer-Aided Molecular Design 36, no. 1 (November 26, 2021): 25–37. http://dx.doi.org/10.1007/s10822-021-00432-3.
Lešnik, Samo, and Urban Bren. "Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking." Foods 11, no. 1 (December 28, 2021): 67. http://dx.doi.org/10.3390/foods11010067.
Negi, Arvind, Nitisha Bhandari, Bharti Rajesh Kumar Shyamlal, and Sandeep Chaudhary. "Inverse docking based screening and identification of protein targets for Cassiarin alkaloids against Plasmodium falciparum." Saudi Pharmaceutical Journal 26, no. 4 (May 2018): 546–67. http://dx.doi.org/10.1016/j.jsps.2018.01.017.
Saenz-Méndez, Patricia, Martin Eriksson, and Leif A. Eriksson. "Ligand Selectivity between the ADP-Ribosylating Toxins: An Inverse-Docking Study for Multitarget Drug Discovery." ACS Omega 2, no. 4 (April 28, 2017): 1710–19. http://dx.doi.org/10.1021/acsomega.7b00010.
Deng, Qian, Shuliang Zou, Hongbin Chen, and Weixiong Duan. "Research on the Trajectory Planning of Demolition Robot Attachment Changing." Sensors 20, no. 16 (August 12, 2020): 4502. http://dx.doi.org/10.3390/s20164502.
Paasche, Mathias Thoresen, Øystein Kaarstad Helgesen, and Edmund Førland Brekke. "Real-time 360 degrees view for the operator of milliAmpere 2." Journal of Physics: Conference Series 2618, no. 1 (October 1, 2023): 012009. http://dx.doi.org/10.1088/1742-6596/2618/1/012009.
Kores, Katarina, Janez Konc, and Urban Bren. "Mechanistic Insights into Side Effects of Troglitazone and Rosiglitazone Using a Novel Inverse Molecular Docking Protocol." Pharmaceutics 13, no. 3 (February 28, 2021): 315. http://dx.doi.org/10.3390/pharmaceutics13030315.
Wang, Fangfang, Wei Yang, and Xiaojun Hu. "Discovery of High Affinity Receptors for Dityrosine through Inverse Virtual Screening and Docking and Molecular Dynamics." International Journal of Molecular Sciences 20, no. 1 (December 29, 2018): 115. http://dx.doi.org/10.3390/ijms20010115.
Virgili-Llop, Josep, Costantinos Zagaris, Hyeongjun Park, Richard Zappulla, and Marcello Romano. "Experimental evaluation of model predictive control and inverse dynamics control for spacecraft proximity and docking maneuvers." CEAS Space Journal 10, no. 1 (May 22, 2017): 37–49. http://dx.doi.org/10.1007/s12567-017-0155-7.
Efeoglu, Cagla, Sena Taskin, Ozge Selcuk, Begum Celik, Ece Tumkaya, Abdulilah Ece, Hayati Sari, Zeynel Seferoglu, Furkan Ayaz, and Yahya Nural. "Synthesis, anti-inflammatory activity, inverse molecular docking, and acid dissociation constants of new naphthoquinone-thiazole hybrids." Bioorganic & Medicinal Chemistry 95 (November 2023): 117510. http://dx.doi.org/10.1016/j.bmc.2023.117510.
Acharya, Pratap, Ranju Bansal, and Prashant Kharkar. "Hybrids of Steroid and Nitrogen Mustard as Antiproliferative Agents: Synthesis, In Vitro Evaluation and In Silico Inverse Screening." Drug Research 68, no. 02 (September 26, 2017): 100–103. http://dx.doi.org/10.1055/s-0043-118538.
Isawi, Israa H., Paula Morales, Noori Sotudeh, Dow P. Hurst, Diane L. Lynch, and Patricia H. Reggio. "GPR6 Structural Insights: Homology Model Construction and Docking Studies." Molecules 25, no. 3 (February 7, 2020): 725. http://dx.doi.org/10.3390/molecules25030725.
Vieira, Graziela, Juliana Cavalli, Elaine C. D. Gonçalves, Saulo F. P. Braga, Rafaela S. Ferreira, Adair R. S. Santos, Maíra Cola, Nádia R. B. Raposo, Raffaele Capasso, and Rafael C. Dutra. "Antidepressant-Like Effect of Terpineol in an Inflammatory Model of Depression: Involvement of the Cannabinoid System and D2 Dopamine Receptor." Biomolecules 10, no. 5 (May 20, 2020): 792. http://dx.doi.org/10.3390/biom10050792.
CHEN, Y. Z., Z. R. LI, and C. Y. UNG. "COMPUTATIONAL METHOD FOR DRUG TARGET SEARCH AND APPLICATION IN DRUG DISCOVERY." Journal of Theoretical and Computational Chemistry 01, no. 01 (July 2002): 213–24. http://dx.doi.org/10.1142/s0219633602000166.
Chen, Shao-Jun. "A Potential Target of Tanshinone IIA for Acute Promyelocytic Leukemia Revealed by Inverse Docking and Drug Repurposing." Asian Pacific Journal of Cancer Prevention 15, no. 10 (May 30, 2014): 4301–5. http://dx.doi.org/10.7314/apjcp.2014.15.10.4301.
Yanai, Toshihiro, Aya Kurosawa, Yoshiaki Nikaido, Nozomi Nakajima, Tamio Saito, Hiroyuki Osada, Ayumu Konno, Hirokazu Hirai, and Shigeki Takeda. "Identification and molecular docking studies for novel inverse agonists of SREB, super conserved receptor expressed in brain." Genes to Cells 21, no. 7 (May 17, 2016): 717–27. http://dx.doi.org/10.1111/gtc.12378.
Rauhamäki, Sanna, Pekka A. Postila, Sakari Lätti, Sanna Niinivehmas, Elina Multamäki, Klaus R. Liedl та Olli T. Pentikäinen. "Discovery of Retinoic Acid-Related Orphan Receptor γt Inverse Agonists via Docking and Negative Image-Based Screening". ACS Omega 3, № 6 (11 червня 2018): 6259–66. http://dx.doi.org/10.1021/acsomega.8b00603.
Khattib, Ali, Sanaa Musa, Majdi Halabi, Tony Hayek, and Soliman Khatib. "Lyso-DGTS Lipid Derivatives Enhance PON1 Activities and Prevent Oxidation of LDL: A Structure–Activity Relationship Study." Antioxidants 11, no. 10 (October 19, 2022): 2058. http://dx.doi.org/10.3390/antiox11102058.