Artículos de revistas sobre el tema "Computational docking"
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Xing, Bo. "Computational Intelligence in Cross Docking". International Journal of Software Innovation 2, n.º 1 (enero de 2014): 1–8. http://dx.doi.org/10.4018/ijsi.2014010101.
Texto completoLengauer, Thomas y Matthias Rarey. "Computational methods for biomolecular docking". Current Opinion in Structural Biology 6, n.º 3 (junio de 1996): 402–6. http://dx.doi.org/10.1016/s0959-440x(96)80061-3.
Texto completoKhamis, Mohamed A., Walid Gomaa y Walaa F. Ahmed. "Machine learning in computational docking". Artificial Intelligence in Medicine 63, n.º 3 (marzo de 2015): 135–52. http://dx.doi.org/10.1016/j.artmed.2015.02.002.
Texto completoLee, Kyoungrim y Joo-Woon Lee. "Computational Approaches to Protein-Protein Docking". Current Proteomics 5, n.º 1 (1 de abril de 2008): 10–19. http://dx.doi.org/10.2174/157016408783955083.
Texto completoHecht, David y Gary Fogel. "Computational Intelligence Methods for Docking Scores". Current Computer Aided-Drug Design 5, n.º 1 (1 de marzo de 2009): 56–68. http://dx.doi.org/10.2174/157340909787580863.
Texto completoAl-hussaniy, Hany Akeel. "The development of molecular docking and molecular dynamics and their application in the field of chemistry and computer simulation". Journal of medical pharmaceutical and allied sciences 12, n.º 1 (31 de enero de 2023): 5552–62. http://dx.doi.org/10.55522/jmpas.v12i1.4137.
Texto completoWang, Kai, Nan Lyu, Hongjuan Diao, Shujuan Jin, Tao Zeng, Yaoqi Zhou y Ruibo Wu. "GM-DockZn: a geometry matching-based docking algorithm for zinc proteins". Bioinformatics 36, n.º 13 (5 de mayo de 2020): 4004–11. http://dx.doi.org/10.1093/bioinformatics/btaa292.
Texto completoButt, Sania Safdar, Yasmin Badshah, Maria Shabbir y Mehak Rafiq. "Molecular Docking Using Chimera and Autodock Vina Software for Nonbioinformaticians". JMIR Bioinformatics and Biotechnology 1, n.º 1 (19 de junio de 2020): e14232. http://dx.doi.org/10.2196/14232.
Texto completoTaufer, M., R. Armen, Jianhan Chen, P. Teller y C. Brooks. "Computational multiscale modeling in protein--ligand docking". IEEE Engineering in Medicine and Biology Magazine 28, n.º 2 (marzo de 2009): 58–69. http://dx.doi.org/10.1109/memb.2009.931789.
Texto completoBaskaran, C. y M. Ramachandran. "Computational molecular docking studies on anticancer drugs". Asian Pacific Journal of Tropical Disease 2 (enero de 2012): S734—S738. http://dx.doi.org/10.1016/s2222-1808(12)60254-0.
Texto completoGoodsell, D. S. "Computational Docking of Biomolecular Complexes with AutoDock". Cold Spring Harbor Protocols 2009, n.º 5 (1 de mayo de 2009): pdb.prot5200. http://dx.doi.org/10.1101/pdb.prot5200.
Texto completoLanez, Elhafnaoui, Lazhar Bechki y Touhami Lanez. "Computational Molecular Docking, Voltammetric and Spectroscopic DNA Interaction Studies of 9N-(Ferrocenylmethyl)adenine". Chemistry & Chemical Technology 13, n.º 1 (5 de marzo de 2019): 11–17. http://dx.doi.org/10.23939/chcht13.01.011.
Texto completoAl-Madhagi, H. A. y M. G. Saleh. "Computational investigation of honeybee venom proteins as potential Omicron SARS-CoV-2 inhibitors". Ukrainian Biochemical Journal 94, n.º 6 (23 de febrero de 2023): 3–10. http://dx.doi.org/10.15407/ubj94.06.003.
Texto completoCakici, Serdar, Selcuk Sumengen, Ugur Sezerman y Selim Balcisoy. "DockPro: A VR-Based Tool for Protein-Protein Docking Problem". International Journal of Virtual Reality 8, n.º 2 (1 de enero de 2009): 19–23. http://dx.doi.org/10.20870/ijvr.2009.8.2.2720.
Texto completoJakhar, Ritu, Mehak Dangi, Alka Khichi y Anil Kumar Chhillar. "Relevance of Molecular Docking Studies in Drug Designing". Current Bioinformatics 15, n.º 4 (11 de junio de 2020): 270–78. http://dx.doi.org/10.2174/1574893615666191219094216.
Texto completoGraff, David E. y Connor W. Coley. "pyscreener: A Python Wrapper for Computational Docking Software". Journal of Open Source Software 7, n.º 71 (16 de marzo de 2022): 3950. http://dx.doi.org/10.21105/joss.03950.
Texto completoOda, Akifumi, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Shuichi Fukuyoshi y Ohgi Takahashi. "Effects of initial settings on computational protein–ligand docking accuracies for several docking programs". Molecular Simulation 41, n.º 10-12 (27 de mayo de 2014): 1027–34. http://dx.doi.org/10.1080/08927022.2014.917300.
Texto completoSAKK, ERIC. "ON THE COMPUTATION OF MOLECULAR SURFACE CORRELATIONS FOR PROTEIN DOCKING USING FOURIER TECHNIQUES". Journal of Bioinformatics and Computational Biology 05, n.º 04 (agosto de 2007): 915–35. http://dx.doi.org/10.1142/s0219720007002916.
Texto completoChoi, Jieun y Juyong Lee. "V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization". International Journal of Molecular Sciences 22, n.º 21 (27 de octubre de 2021): 11635. http://dx.doi.org/10.3390/ijms222111635.
Texto completoMonteiro, Alex France M., Jéssika De O. Viana, Anuraj Nayarisseri, Ernestine N. Zondegoumba, Francisco Jaime B. Mendonça Junior, Marcus Tullius Scotti y Luciana Scotti. "Computational Studies Applied to Flavonoids against Alzheimer’s and Parkinson’s Diseases". Oxidative Medicine and Cellular Longevity 2018 (30 de diciembre de 2018): 1–21. http://dx.doi.org/10.1155/2018/7912765.
Texto completoSalih, Twana Mohsin. "A Comparative Study for the Accuracy of Three Molecular Docking Programs Using HIV-1 Protease Inhibitors as a Model". Iraqi Journal of Pharmaceutical Sciences ( P-ISSN 1683 - 3597 E-ISSN 2521 - 3512) 31, n.º 2 (24 de diciembre de 2022): 160–68. http://dx.doi.org/10.31351/vol31iss2pp160-168.
Texto completoApostolakist, J. y A. Caflisch. "Computational Ligand Design". Combinatorial Chemistry & High Throughput Screening 2, n.º 2 (abril de 1999): 91–104. http://dx.doi.org/10.2174/1386207302666220203193501.
Texto completoBatool, Majda, Affifa Tajammal, Firdous Farhat, Francis Verpoort, Zafar Khattak, Mehr-un-Nisa, Muhammad Shahid et al. "Molecular Docking, Computational, and Antithrombotic Studies of Novel 1,3,4-Oxadiazole Derivatives". International Journal of Molecular Sciences 19, n.º 11 (15 de noviembre de 2018): 3606. http://dx.doi.org/10.3390/ijms19113606.
Texto completoOuma, Stephen, Richard Kagia y Faith Kamakia. "Determination of pharmacological activity of bioactives in Allium sativum using computational analysis". F1000Research 12 (9 de febrero de 2023): 151. http://dx.doi.org/10.12688/f1000research.130105.1.
Texto completoTivon, Barr, Ronen Gabizon, Bente A. Somsen, Peter J. Cossar, Christian Ottmann y Nir London. "Covalent flexible peptide docking in Rosetta". Chemical Science 12, n.º 32 (2021): 10836–47. http://dx.doi.org/10.1039/d1sc02322e.
Texto completoMarinho, Márcia M., Francisco Wagner Q. Almeida-Neto, Emanuelle M. Marinho, Leonardo P. da Silva, Ramon R. P. P. B. Menezes, Ricardo P. dos Santos, Emmanuel S. Marinho, Pedro de Lima-Neto y Alice M. C. Martins. "Quantum computational investigations and molecular docking studies on amentoflavone". Heliyon 7, n.º 1 (enero de 2021): e06079. http://dx.doi.org/10.1016/j.heliyon.2021.e06079.
Texto completoGioia, Dario, Martina Bertazzo, Maurizio Recanatini, Matteo Masetti y Andrea Cavalli. "Dynamic Docking: A Paradigm Shift in Computational Drug Discovery". Molecules 22, n.º 11 (22 de noviembre de 2017): 2029. http://dx.doi.org/10.3390/molecules22112029.
Texto completoTajammal, Affifa, Aysha Siddiqa, Ahmad Irfan, Muhammad Azam, Huma Hafeez, Munawar Ali Munawar y Muhammad Asim Raza Basra. "Antioxidant, molecular docking and computational investigation of new flavonoids". Journal of Molecular Structure 1254 (abril de 2022): 132189. http://dx.doi.org/10.1016/j.molstruc.2021.132189.
Texto completoMay, Andreas, Florian Sieker y Martin Zacharias. "How to Efficiently Include Receptor Flexibility During Computational Docking". Current Computer Aided-Drug Design 4, n.º 2 (1 de junio de 2008): 143–53. http://dx.doi.org/10.2174/157340908784533265.
Texto completoEsquivel-Rodriguez, Juan y Daisuke Kihara. "Computational Methods for Multiple Protein Docking for Asymmetric Complexes". Biophysical Journal 102, n.º 3 (enero de 2012): 260a. http://dx.doi.org/10.1016/j.bpj.2011.11.1431.
Texto completoBurton, Richard M. "Computational Laboratories for Organization Science: Questions, Validity and Docking". Computational & Mathematical Organization Theory 9, n.º 2 (julio de 2003): 91–108. http://dx.doi.org/10.1023/b:cmot.0000022750.46976.3c.
Texto completoRoberts, Victoria A., Michael E. Pique, Lynn F. Ten Eyck y Sheng Li. "Predicting protein-DNA interactions by full search computational docking". Proteins: Structure, Function, and Bioinformatics 81, n.º 12 (18 de octubre de 2013): 2106–18. http://dx.doi.org/10.1002/prot.24395.
Texto completoJain, Ajay N. "Bias, reporting, and sharing: computational evaluations of docking methods". Journal of Computer-Aided Molecular Design 22, n.º 3-4 (13 de diciembre de 2007): 201–12. http://dx.doi.org/10.1007/s10822-007-9151-x.
Texto completoYuriev, Elizabeth, Mark Agostino y Paul A. Ramsland. "Challenges and advances in computational docking: 2009 in review". Journal of Molecular Recognition 24, n.º 2 (23 de octubre de 2010): 149–64. http://dx.doi.org/10.1002/jmr.1077.
Texto completoCRISTINO, MARIA DA GLÓRIA G., CARLA CAROLINA F. DE MENESES, MALÚCIA MARQUES SOEIRO, JOÃO ELIAS V. FERREIRA, ANTONIO FLORÊNCIO DE FIGUEIREDO, JARDEL PINTO BARBOSA, RUTH C. O. DE ALMEIDA, JOSÉ C. PINHEIRO y ANDRÉIA DE LOURDES R. PINHEIRO. "COMPUTATIONAL MODELING OF ANTIMALARIAL 10-SUBSTITUTED DEOXOARTEMISININS". Journal of Theoretical and Computational Chemistry 11, n.º 02 (abril de 2012): 241–63. http://dx.doi.org/10.1142/s0219633612500162.
Texto completoRaval, Keval y Tejas Ganatra. "Basics, types and applications of molecular docking: A review". IP International Journal of Comprehensive and Advanced Pharmacology 7, n.º 1 (15 de marzo de 2022): 12–16. http://dx.doi.org/10.18231/j.ijcaap.2022.003.
Texto completoSingh, Niraj Kumar, Somdutt Mujwar y Debapriya Garabadu. "in silico Anti-Cholinestarase Activity of Flavonoids: A Computational Approach". Asian Journal of Chemistry 31, n.º 12 (16 de noviembre de 2019): 2859–64. http://dx.doi.org/10.14233/ajchem.2019.22153.
Texto completoTeo, Ruijie D., Sijia S. Dong, Zeev Gross, Harry B. Gray y William A. Goddard. "Computational predictions of corroles as a class of Hsp90 inhibitors". Molecular BioSystems 11, n.º 11 (2015): 2907–14. http://dx.doi.org/10.1039/c5mb00352k.
Texto completoCatalani, Valeria, Michelle Botha, John Martin Corkery, Amira Guirguis, Alessandro Vento, Norbert Scherbaum y Fabrizio Schifano. "The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity". Pharmaceuticals 14, n.º 8 (26 de julio de 2021): 720. http://dx.doi.org/10.3390/ph14080720.
Texto completoJaiyeoba, Oluwaseyi, Azman Samsudin y Suhaila Sulaiman. "Utilising the Computational Power of Blockchain Proof-ofWork in Computer-Aided Drug Design". International Journal of Emerging Technology and Advanced Engineering 12, n.º 10 (1 de octubre de 2022): 37–50. http://dx.doi.org/10.46338/ijetae1022_05.
Texto completoPandey, Anwesh, Rolly Yadav, Anamika Shukla y Anil Kumar Yadav. "Unveiling the Antimicrobial Activities of Dicationic Carbazoles and Related Analogs Through Computational Docking". Advanced Science, Engineering and Medicine 12, n.º 1 (1 de enero de 2020): 40–44. http://dx.doi.org/10.1166/asem.2020.2513.
Texto completoPatel, Jimish R., Hirak V. Joshi, Ujashkumar A. Shah y Jayvadan K. Patel. "A Review on Computational Software Tools for Drug Design and Discovery". Indo Global Journal of Pharmaceutical Sciences 12 (2022): 53–81. http://dx.doi.org/10.35652/igjps.2022.12006.
Texto completoNaqvi, Ahmad Abu Turab, Taj Mohammad, Gulam Mustafa Hasan y Md Imtaiyaz Hassan. "Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships". Current Topics in Medicinal Chemistry 18, n.º 20 (31 de diciembre de 2018): 1755–68. http://dx.doi.org/10.2174/1568026618666181025114157.
Texto completoKhodade, Prashant, R. Prabhu, Nagasuma Chandra, Soumyendu Raha y R. Govindarajan. "Parallel implementation ofAutoDock". Journal of Applied Crystallography 40, n.º 3 (15 de mayo de 2007): 598–99. http://dx.doi.org/10.1107/s0021889807011053.
Texto completoAlTarabeen, Mousa, Qosay Al-Balas, Amgad Albohy, Werner Ernst Georg Müller y Peter Proksch. "Marine-Based Candidates as Potential RSK1 Inhibitors: A Computational Study". Molecules 28, n.º 1 (26 de diciembre de 2022): 202. http://dx.doi.org/10.3390/molecules28010202.
Texto completoKotthoff, Ian, Petras J. Kundrotas y Ilya A. Vakser. "DOCKGROUND membrane protein-protein set". PLOS ONE 17, n.º 5 (17 de mayo de 2022): e0267531. http://dx.doi.org/10.1371/journal.pone.0267531.
Texto completoOzheredov, S. P., O. M. Demchuk, P. A. Karpov, S. I. Spivak y Ya B. Blume. "Identification of plant α-tubulin amino acids playing a key role in specific binding of nitroaniline compounds". Faktori eksperimental'noi evolucii organizmiv 24 (30 de agosto de 2019): 333–37. http://dx.doi.org/10.7124/feeo.v24.1125.
Texto completoShimki, Afia Ibnath, Anisur Rahman, Md Helal Uddin Chowdhury, Md Nazim Uddin Chy y Md Adnan. "In silico molecular docking study of phytochemicals obtained from Holigarna caustica (Dennst.) for cancer treatment". Journal of Phytomolecules and Pharmacology 1, n.º 1 (2022): 47–55. http://dx.doi.org/10.56717/jpp.2022.v01i01.006.
Texto completoDe Paris, Renata, Christian V. Quevedo, Duncan D. Ruiz, Osmar Norberto de Souza y Rodrigo C. Barros. "Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments". Computational Intelligence and Neuroscience 2015 (2015): 1–9. http://dx.doi.org/10.1155/2015/916240.
Texto completoSharov, Artem V., Tatyana M. Burkhanova, Tugba Taskın Tok, Maria G. Babashkina y Damir A. Safin. "Computational Analysis of Molnupiravir". International Journal of Molecular Sciences 23, n.º 3 (28 de enero de 2022): 1508. http://dx.doi.org/10.3390/ijms23031508.
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