Статті в журналах з теми "Computational docking"
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Xing, Bo. "Computational Intelligence in Cross Docking." International Journal of Software Innovation 2, no. 1 (January 2014): 1–8. http://dx.doi.org/10.4018/ijsi.2014010101.
Повний текст джерелаLengauer, Thomas, and Matthias Rarey. "Computational methods for biomolecular docking." Current Opinion in Structural Biology 6, no. 3 (June 1996): 402–6. http://dx.doi.org/10.1016/s0959-440x(96)80061-3.
Повний текст джерелаKhamis, Mohamed A., Walid Gomaa, and Walaa F. Ahmed. "Machine learning in computational docking." Artificial Intelligence in Medicine 63, no. 3 (March 2015): 135–52. http://dx.doi.org/10.1016/j.artmed.2015.02.002.
Повний текст джерелаLee, Kyoungrim, and Joo-Woon Lee. "Computational Approaches to Protein-Protein Docking." Current Proteomics 5, no. 1 (April 1, 2008): 10–19. http://dx.doi.org/10.2174/157016408783955083.
Повний текст джерелаHecht, David, and Gary Fogel. "Computational Intelligence Methods for Docking Scores." Current Computer Aided-Drug Design 5, no. 1 (March 1, 2009): 56–68. http://dx.doi.org/10.2174/157340909787580863.
Повний текст джерелаAl-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, no. 1 (January 31, 2023): 5552–62. http://dx.doi.org/10.55522/jmpas.v12i1.4137.
Повний текст джерелаWang, Kai, Nan Lyu, Hongjuan Diao, Shujuan Jin, Tao Zeng, Yaoqi Zhou, and Ruibo Wu. "GM-DockZn: a geometry matching-based docking algorithm for zinc proteins." Bioinformatics 36, no. 13 (May 5, 2020): 4004–11. http://dx.doi.org/10.1093/bioinformatics/btaa292.
Повний текст джерелаButt, Sania Safdar, Yasmin Badshah, Maria Shabbir, and Mehak Rafiq. "Molecular Docking Using Chimera and Autodock Vina Software for Nonbioinformaticians." JMIR Bioinformatics and Biotechnology 1, no. 1 (June 19, 2020): e14232. http://dx.doi.org/10.2196/14232.
Повний текст джерелаTaufer, M., R. Armen, Jianhan Chen, P. Teller, and C. Brooks. "Computational multiscale modeling in protein--ligand docking." IEEE Engineering in Medicine and Biology Magazine 28, no. 2 (March 2009): 58–69. http://dx.doi.org/10.1109/memb.2009.931789.
Повний текст джерелаBaskaran, C., and M. Ramachandran. "Computational molecular docking studies on anticancer drugs." Asian Pacific Journal of Tropical Disease 2 (January 2012): S734—S738. http://dx.doi.org/10.1016/s2222-1808(12)60254-0.
Повний текст джерелаGoodsell, D. S. "Computational Docking of Biomolecular Complexes with AutoDock." Cold Spring Harbor Protocols 2009, no. 5 (May 1, 2009): pdb.prot5200. http://dx.doi.org/10.1101/pdb.prot5200.
Повний текст джерелаLanez, Elhafnaoui, Lazhar Bechki, and Touhami Lanez. "Computational Molecular Docking, Voltammetric and Spectroscopic DNA Interaction Studies of 9N-(Ferrocenylmethyl)adenine." Chemistry & Chemical Technology 13, no. 1 (March 5, 2019): 11–17. http://dx.doi.org/10.23939/chcht13.01.011.
Повний текст джерелаAl-Madhagi, H. A., and M. G. Saleh. "Computational investigation of honeybee venom proteins as potential Omicron SARS-CoV-2 inhibitors." Ukrainian Biochemical Journal 94, no. 6 (February 23, 2023): 3–10. http://dx.doi.org/10.15407/ubj94.06.003.
Повний текст джерелаCakici, Serdar, Selcuk Sumengen, Ugur Sezerman, and Selim Balcisoy. "DockPro: A VR-Based Tool for Protein-Protein Docking Problem." International Journal of Virtual Reality 8, no. 2 (January 1, 2009): 19–23. http://dx.doi.org/10.20870/ijvr.2009.8.2.2720.
Повний текст джерелаJakhar, Ritu, Mehak Dangi, Alka Khichi, and Anil Kumar Chhillar. "Relevance of Molecular Docking Studies in Drug Designing." Current Bioinformatics 15, no. 4 (June 11, 2020): 270–78. http://dx.doi.org/10.2174/1574893615666191219094216.
Повний текст джерелаGraff, David E., and Connor W. Coley. "pyscreener: A Python Wrapper for Computational Docking Software." Journal of Open Source Software 7, no. 71 (March 16, 2022): 3950. http://dx.doi.org/10.21105/joss.03950.
Повний текст джерелаOda, Akifumi, Noriyuki Yamaotsu, Shuichi Hirono, Yurie Watanabe, Shuichi Fukuyoshi, and Ohgi Takahashi. "Effects of initial settings on computational protein–ligand docking accuracies for several docking programs." Molecular Simulation 41, no. 10-12 (May 27, 2014): 1027–34. http://dx.doi.org/10.1080/08927022.2014.917300.
Повний текст джерелаSAKK, 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.
Повний текст джерелаChoi, Jieun, and 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, no. 21 (October 27, 2021): 11635. http://dx.doi.org/10.3390/ijms222111635.
Повний текст джерелаMonteiro, Alex France M., Jéssika De O. Viana, Anuraj Nayarisseri, Ernestine N. Zondegoumba, Francisco Jaime B. Mendonça Junior, Marcus Tullius Scotti, and Luciana Scotti. "Computational Studies Applied to Flavonoids against Alzheimer’s and Parkinson’s Diseases." Oxidative Medicine and Cellular Longevity 2018 (December 30, 2018): 1–21. http://dx.doi.org/10.1155/2018/7912765.
Повний текст джерелаSalih, 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, no. 2 (December 24, 2022): 160–68. http://dx.doi.org/10.31351/vol31iss2pp160-168.
Повний текст джерелаApostolakist, J., and A. Caflisch. "Computational Ligand Design." Combinatorial Chemistry & High Throughput Screening 2, no. 2 (April 1999): 91–104. http://dx.doi.org/10.2174/1386207302666220203193501.
Повний текст джерелаBatool, 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, no. 11 (November 15, 2018): 3606. http://dx.doi.org/10.3390/ijms19113606.
Повний текст джерелаOuma, Stephen, Richard Kagia, and Faith Kamakia. "Determination of pharmacological activity of bioactives in Allium sativum using computational analysis." F1000Research 12 (February 9, 2023): 151. http://dx.doi.org/10.12688/f1000research.130105.1.
Повний текст джерелаTivon, Barr, Ronen Gabizon, Bente A. Somsen, Peter J. Cossar, Christian Ottmann, and Nir London. "Covalent flexible peptide docking in Rosetta." Chemical Science 12, no. 32 (2021): 10836–47. http://dx.doi.org/10.1039/d1sc02322e.
Повний текст джерелаMarinho, 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, and Alice M. C. Martins. "Quantum computational investigations and molecular docking studies on amentoflavone." Heliyon 7, no. 1 (January 2021): e06079. http://dx.doi.org/10.1016/j.heliyon.2021.e06079.
Повний текст джерелаGioia, Dario, Martina Bertazzo, Maurizio Recanatini, Matteo Masetti, and Andrea Cavalli. "Dynamic Docking: A Paradigm Shift in Computational Drug Discovery." Molecules 22, no. 11 (November 22, 2017): 2029. http://dx.doi.org/10.3390/molecules22112029.
Повний текст джерелаTajammal, Affifa, Aysha Siddiqa, Ahmad Irfan, Muhammad Azam, Huma Hafeez, Munawar Ali Munawar, and Muhammad Asim Raza Basra. "Antioxidant, molecular docking and computational investigation of new flavonoids." Journal of Molecular Structure 1254 (April 2022): 132189. http://dx.doi.org/10.1016/j.molstruc.2021.132189.
Повний текст джерелаMay, Andreas, Florian Sieker, and Martin Zacharias. "How to Efficiently Include Receptor Flexibility During Computational Docking." Current Computer Aided-Drug Design 4, no. 2 (June 1, 2008): 143–53. http://dx.doi.org/10.2174/157340908784533265.
Повний текст джерелаEsquivel-Rodriguez, Juan, and Daisuke Kihara. "Computational Methods for Multiple Protein Docking for Asymmetric Complexes." Biophysical Journal 102, no. 3 (January 2012): 260a. http://dx.doi.org/10.1016/j.bpj.2011.11.1431.
Повний текст джерелаBurton, Richard M. "Computational Laboratories for Organization Science: Questions, Validity and Docking." Computational & Mathematical Organization Theory 9, no. 2 (July 2003): 91–108. http://dx.doi.org/10.1023/b:cmot.0000022750.46976.3c.
Повний текст джерелаRoberts, Victoria A., Michael E. Pique, Lynn F. Ten Eyck, and Sheng Li. "Predicting protein-DNA interactions by full search computational docking." Proteins: Structure, Function, and Bioinformatics 81, no. 12 (October 18, 2013): 2106–18. http://dx.doi.org/10.1002/prot.24395.
Повний текст джерелаJain, Ajay N. "Bias, reporting, and sharing: computational evaluations of docking methods." Journal of Computer-Aided Molecular Design 22, no. 3-4 (December 13, 2007): 201–12. http://dx.doi.org/10.1007/s10822-007-9151-x.
Повний текст джерелаYuriev, Elizabeth, Mark Agostino, and Paul A. Ramsland. "Challenges and advances in computational docking: 2009 in review." Journal of Molecular Recognition 24, no. 2 (October 23, 2010): 149–64. http://dx.doi.org/10.1002/jmr.1077.
Повний текст джерелаCRISTINO, 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, and ANDRÉIA DE LOURDES R. PINHEIRO. "COMPUTATIONAL MODELING OF ANTIMALARIAL 10-SUBSTITUTED DEOXOARTEMISININS." Journal of Theoretical and Computational Chemistry 11, no. 02 (April 2012): 241–63. http://dx.doi.org/10.1142/s0219633612500162.
Повний текст джерелаRaval, Keval, and Tejas Ganatra. "Basics, types and applications of molecular docking: A review." IP International Journal of Comprehensive and Advanced Pharmacology 7, no. 1 (March 15, 2022): 12–16. http://dx.doi.org/10.18231/j.ijcaap.2022.003.
Повний текст джерелаSingh, Niraj Kumar, Somdutt Mujwar, and Debapriya Garabadu. "in silico Anti-Cholinestarase Activity of Flavonoids: A Computational Approach." Asian Journal of Chemistry 31, no. 12 (November 16, 2019): 2859–64. http://dx.doi.org/10.14233/ajchem.2019.22153.
Повний текст джерелаTeo, Ruijie D., Sijia S. Dong, Zeev Gross, Harry B. Gray, and William A. Goddard. "Computational predictions of corroles as a class of Hsp90 inhibitors." Molecular BioSystems 11, no. 11 (2015): 2907–14. http://dx.doi.org/10.1039/c5mb00352k.
Повний текст джерелаCatalani, Valeria, Michelle Botha, John Martin Corkery, Amira Guirguis, Alessandro Vento, Norbert Scherbaum, and Fabrizio Schifano. "The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity." Pharmaceuticals 14, no. 8 (July 26, 2021): 720. http://dx.doi.org/10.3390/ph14080720.
Повний текст джерелаJaiyeoba, Oluwaseyi, Azman Samsudin, and Suhaila Sulaiman. "Utilising the Computational Power of Blockchain Proof-ofWork in Computer-Aided Drug Design." International Journal of Emerging Technology and Advanced Engineering 12, no. 10 (October 1, 2022): 37–50. http://dx.doi.org/10.46338/ijetae1022_05.
Повний текст джерелаPandey, Anwesh, Rolly Yadav, Anamika Shukla, and Anil Kumar Yadav. "Unveiling the Antimicrobial Activities of Dicationic Carbazoles and Related Analogs Through Computational Docking." Advanced Science, Engineering and Medicine 12, no. 1 (January 1, 2020): 40–44. http://dx.doi.org/10.1166/asem.2020.2513.
Повний текст джерелаPatel, Jimish R., Hirak V. Joshi, Ujashkumar A. Shah, and 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.
Повний текст джерелаNaqvi, Ahmad Abu Turab, Taj Mohammad, Gulam Mustafa Hasan, and Md Imtaiyaz Hassan. "Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships." Current Topics in Medicinal Chemistry 18, no. 20 (December 31, 2018): 1755–68. http://dx.doi.org/10.2174/1568026618666181025114157.
Повний текст джерелаKhodade, Prashant, R. Prabhu, Nagasuma Chandra, Soumyendu Raha, and R. Govindarajan. "Parallel implementation ofAutoDock." Journal of Applied Crystallography 40, no. 3 (May 15, 2007): 598–99. http://dx.doi.org/10.1107/s0021889807011053.
Повний текст джерелаAlTarabeen, Mousa, Qosay Al-Balas, Amgad Albohy, Werner Ernst Georg Müller, and Peter Proksch. "Marine-Based Candidates as Potential RSK1 Inhibitors: A Computational Study." Molecules 28, no. 1 (December 26, 2022): 202. http://dx.doi.org/10.3390/molecules28010202.
Повний текст джерелаKotthoff, Ian, Petras J. Kundrotas, and Ilya A. Vakser. "DOCKGROUND membrane protein-protein set." PLOS ONE 17, no. 5 (May 17, 2022): e0267531. http://dx.doi.org/10.1371/journal.pone.0267531.
Повний текст джерелаOzheredov, S. P., O. M. Demchuk, P. A. Karpov, S. I. Spivak та 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 серпня 2019): 333–37. http://dx.doi.org/10.7124/feeo.v24.1125.
Повний текст джерелаShimki, Afia Ibnath, Anisur Rahman, Md Helal Uddin Chowdhury, Md Nazim Uddin Chy, and Md Adnan. "In silico molecular docking study of phytochemicals obtained from Holigarna caustica (Dennst.) for cancer treatment." Journal of Phytomolecules and Pharmacology 1, no. 1 (2022): 47–55. http://dx.doi.org/10.56717/jpp.2022.v01i01.006.
Повний текст джерелаDe Paris, Renata, Christian V. Quevedo, Duncan D. Ruiz, Osmar Norberto de Souza, and 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.
Повний текст джерелаSharov, Artem V., Tatyana M. Burkhanova, Tugba Taskın Tok, Maria G. Babashkina, and Damir A. Safin. "Computational Analysis of Molnupiravir." International Journal of Molecular Sciences 23, no. 3 (January 28, 2022): 1508. http://dx.doi.org/10.3390/ijms23031508.
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