Artykuły w czasopismach na temat „Interactive molecular simulations”
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Rapaport, D. C., i Harvey Gould. "An introduction to interactive molecular-dynamics simulations". Computers in Physics 11, nr 4 (1997): 337. http://dx.doi.org/10.1063/1.168612.
Pełny tekst źródłaLanrezac, André, Benoist Laurent, Hubert Santuz, Nicolas Férey i Marc Baaden. "Fast and Interactive Positioning of Proteins within Membranes". Algorithms 15, nr 11 (7.11.2022): 415. http://dx.doi.org/10.3390/a15110415.
Pełny tekst źródłaDelalande, Olivier, Nicolas Férey, Gilles Grasseau i Marc Baaden. "Complex molecular assemblies at hand via interactive simulations". Journal of Computational Chemistry 30, nr 15 (30.11.2009): 2375–87. http://dx.doi.org/10.1002/jcc.21235.
Pełny tekst źródłaLahlali, Abdelouahed, Nadia Chafiq, Mohamed Radid, Kamal Moundy i Chaibia Srour. "The Effect of Integrating Interactive Simulations on the Development of Students’ Motivation, Engagement, Interaction and School Results". International Journal of Emerging Technologies in Learning (iJET) 18, nr 12 (21.06.2023): 193–207. http://dx.doi.org/10.3991/ijet.v18i12.39755.
Pełny tekst źródłaDunn, Justin, i Umesh Ramnarain. "The Effect of Simulation-Supported Inquiry on South African Natural Sciences Learners’ Understanding of Atomic and Molecular Structures". Education Sciences 10, nr 10 (14.10.2020): 280. http://dx.doi.org/10.3390/educsci10100280.
Pełny tekst źródłaGoret, G., B. Aoun i E. Pellegrini. "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations". Journal of Chemical Information and Modeling 57, nr 1 (6.01.2017): 1–5. http://dx.doi.org/10.1021/acs.jcim.6b00571.
Pełny tekst źródłaWhite, Brian T., i Ethan D. Bolker. "Interactive computer simulations of genetics, biochemistry, and molecular biology". Biochemistry and Molecular Biology Education 36, nr 1 (styczeń 2008): 77–84. http://dx.doi.org/10.1002/bmb.20152.
Pełny tekst źródłaSego, T. J., James P. Sluka, Herbert M. Sauro i James A. Glazier. "Tissue Forge: Interactive biological and biophysics simulation environment". PLOS Computational Biology 19, nr 10 (23.10.2023): e1010768. http://dx.doi.org/10.1371/journal.pcbi.1010768.
Pełny tekst źródłaCruz-neira, C., R. Langley i P. A. Bash. "Interactive Molecular Modeling with Virtual Reality and Empirical Energy Simulations". SAR and QSAR in Environmental Research 9, nr 1-2 (styczeń 1998): 39–51. http://dx.doi.org/10.1080/10629369808039148.
Pełny tekst źródłaMcCluskey, Andrew R., James Grant, Adam R. Symington, Tim Snow, James Doutch, Benjamin J. Morgan, Stephen C. Parker i Karen J. Edler. "An introduction to classical molecular dynamics simulation for experimental scattering users". Journal of Applied Crystallography 52, nr 3 (7.05.2019): 665–68. http://dx.doi.org/10.1107/s1600576719004333.
Pełny tekst źródłaGlowacki, David R., Michael O'Connor, Gaetano Calabró, James Price, Philip Tew, Thomas Mitchell, Joseph Hyde, David P. Tew, David J. Coughtrie i Simon McIntosh-Smith. "A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors". Faraday Discuss. 169 (2014): 63–87. http://dx.doi.org/10.1039/c4fd00008k.
Pełny tekst źródłaAstsatryan, Hrachya, Wahi Narsisian, Eliza Gyulgyulyan, Vardan Baghdasaryan, Armen Poghosyan, Yevgeni Mamasakhlisov i Peter Wittenburg. "An Integrated Web-based Interactive Data Platform for Molecular Dynamics Simulations". Scalable Computing: Practice and Experience 19, nr 2 (10.05.2018): 131–38. http://dx.doi.org/10.12694/scpe.v19i2.1337.
Pełny tekst źródłaByška, J., T. Trautner, S. M. Marques, J. Damborský, B. Kozlíková i M. Waldner. "Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization". Computer Graphics Forum 38, nr 3 (czerwiec 2019): 441–53. http://dx.doi.org/10.1111/cgf.13701.
Pełny tekst źródłaWhitworth, Karen, Sarah Leupen, Chistopher Rakes i Mauricio Bustos. "Interactive Computer Simulations as Pedagogical Tools in Biology Labs". CBE—Life Sciences Education 17, nr 3 (wrzesień 2018): ar46. http://dx.doi.org/10.1187/cbe.17-09-0208.
Pełny tekst źródłaDreher, Matthieu, Jessica Prevoteau-Jonquet, Mikael Trellet, Marc Piuzzi, Marc Baaden, Bruno Raffin, Nicolas Ferey, Sophie Robert i Sébastien Limet. "ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations". Faraday Discuss. 169 (2014): 119–42. http://dx.doi.org/10.1039/c3fd00142c.
Pełny tekst źródłaPoppleton, Erik, Roger Romero, Aatmik Mallya, Lorenzo Rovigatti i Petr Šulc. "OxDNA.org: a public webserver for coarse-grained simulations of DNA and RNA nanostructures". Nucleic Acids Research 49, W1 (1.05.2021): W491—W498. http://dx.doi.org/10.1093/nar/gkab324.
Pełny tekst źródłaColubri, Andrés, Molly Kemball, Kian Sani, Chloe Boehm, Karen Mutch-Jones, Ben Fry, Todd Brown i Pardis C. Sabeti. "Preventing Outbreaks through Interactive, Experiential Real-Life Simulations". Cell 182, nr 6 (wrzesień 2020): 1366–71. http://dx.doi.org/10.1016/j.cell.2020.08.042.
Pełny tekst źródłaROBLES, MIGUEL, VILLE MUSTONEN i KIMMO KASKI. "MOLECULAR DYNAMIC STUDY OF A SINGLE DISLOCATION IN A TWO-DIMENSIONAL LENNARD–JONES SYSTEM". International Journal of Modern Physics C 14, nr 04 (maj 2003): 407–21. http://dx.doi.org/10.1142/s0129183103004620.
Pełny tekst źródłaPandi, Sangavi, Langeswaran Kulanthaivel, Gowtham Kumar Subbaraj, Sangeetha Rajaram i Senthilkumar Subramanian. "Screening of Potential Breast Cancer Inhibitors through Molecular Docking and Molecular Dynamics Simulation". BioMed Research International 2022 (28.06.2022): 1–9. http://dx.doi.org/10.1155/2022/3338549.
Pełny tekst źródłaDubois, Marc-André, Xavier Bouju i Alain Rochefort. "Toward interactive scanning tunneling microscopy simulations of large-scale molecular systems in real time". Journal of Applied Physics 124, nr 4 (28.07.2018): 044301. http://dx.doi.org/10.1063/1.5037443.
Pełny tekst źródłaMarforio, Tainah Dorina, Alessandro Calza, Edoardo Jun Mattioli, Francesco Zerbetto i Matteo Calvaresi. "Dissecting the Supramolecular Dispersion of Fullerenes by Proteins/Peptides: Amino Acid Ranking and Driving Forces for Binding to C60". International Journal of Molecular Sciences 22, nr 21 (26.10.2021): 11567. http://dx.doi.org/10.3390/ijms222111567.
Pełny tekst źródłaGauthier, Andrea. "Game and Simulation Stimulate Conceptual Change about Molecular Emergence in Different Ways, with Potential Cultural Implications". Education Sciences 14, nr 4 (31.03.2024): 366. http://dx.doi.org/10.3390/educsci14040366.
Pełny tekst źródłaYang, Jiantao, i Tairen Sun. "Finite-Time Interactive Control of Robots with Multiple Interaction Modes". Sensors 22, nr 10 (11.05.2022): 3668. http://dx.doi.org/10.3390/s22103668.
Pełny tekst źródłaTorrens-Fontanals, Mariona, Alejandro Peralta-García, Carmine Talarico, Ramon Guixà-González, Toni Giorgino i Jana Selent. "SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions". Nucleic Acids Research 50, nr D1 (11.11.2021): D858—D866. http://dx.doi.org/10.1093/nar/gkab977.
Pełny tekst źródłaSellis, Diamantis, Dimitrios Vlachakis i Metaxia Vlassi. "Gromita: A Fully Integrated Graphical user Interface to Gromacs 4". Bioinformatics and Biology Insights 3 (styczeń 2009): BBI.S3207. http://dx.doi.org/10.4137/bbi.s3207.
Pełny tekst źródłaAbdi, Sayed Aliul Hasan, Amena Ali, Shabihul Fatma Sayed, Mohamed Jawed Ahsan, Abu Tahir, Wasim Ahmad, Shatrunajay Shukla i Abuzer Ali. "Morusflavone, a New Therapeutic Candidate for Prostate Cancer by CYP17A1 Inhibition: Exhibited by Molecular Docking and Dynamics Simulation". Plants 10, nr 9 (14.09.2021): 1912. http://dx.doi.org/10.3390/plants10091912.
Pełny tekst źródłaLoya, Adil, Antash Najib, Fahad Aziz, Asif Khan, Guogang Ren i Kun Luo. "Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids". Beilstein Journal of Nanotechnology 13 (7.07.2022): 620–28. http://dx.doi.org/10.3762/bjnano.13.54.
Pełny tekst źródłaAllain, Ariane, Isaure Chauvot de Beauchêne, Florent Langenfeld, Yann Guarracino, Elodie Laine i Luba Tchertanov. "Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs". Faraday Discuss. 169 (2014): 303–21. http://dx.doi.org/10.1039/c4fd00024b.
Pełny tekst źródłaClarke, Kenneth A. "Microcomputer Simulations of Mechanical Properties of Skeletal Muscle for Undergraduate Classes". Alternatives to Laboratory Animals 15, nr 3 (marzec 1988): 183–87. http://dx.doi.org/10.1177/026119298801500303.
Pełny tekst źródłaMolza, A. E., N. Férey, M. Czjzek, E. Le Rumeur, J. F. Hubert, A. Tek, B. Laurent, M. Baaden i O. Delalande. "Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly". Faraday Discuss. 169 (2014): 45–62. http://dx.doi.org/10.1039/c3fd00134b.
Pełny tekst źródłaNakano, Aiichiro, Rajiv K. Kalia, Priya Vashishta, Timothy J. Campbell, Shuji Ogata, Fuyuki Shimojo i Subhash Saini. "Scalable Atomistic Simulation Algorithms for Materials Research". Scientific Programming 10, nr 4 (2002): 263–70. http://dx.doi.org/10.1155/2002/203525.
Pełny tekst źródłaHokkanen, J. E. "Visual simulations, artificial animals and virtual ecosystems". Journal of Experimental Biology 202, nr 23 (1.12.1999): 3477–84. http://dx.doi.org/10.1242/jeb.202.23.3477.
Pełny tekst źródłaRusu, Victor H., Denys E. S. Santos, Marcelo D. Poleto, Marcelo M. Galheigo, Antônio T. A. Gomes, Hugo Verli, Thereza A. Soares i Roberto D. Lins. "Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations". Journal of Chemical Information and Modeling 60, nr 12 (19.11.2020): 5923–27. http://dx.doi.org/10.1021/acs.jcim.0c01168.
Pełny tekst źródłaErtl, Thomas, Michael Krone, Stefan Kesselheim, Katrin Scharnowski, Guido Reina i Christian Holm. "Visual analysis for space–time aggregation of biomolecular simulations". Faraday Discuss. 169 (2014): 167–78. http://dx.doi.org/10.1039/c3fd00156c.
Pełny tekst źródłaStone, John E., Ryan McGreevy, Barry Isralewitz i Klaus Schulten. "GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting". Faraday Discuss. 169 (2014): 265–83. http://dx.doi.org/10.1039/c4fd00005f.
Pełny tekst źródłaDewhurst, David G., Guy J. Brown i Anthony S. Meehan. "Microcomputer Simulations of Laboratory Experiments in Physiology". Alternatives to Laboratory Animals 15, nr 4 (czerwiec 1988): 280–89. http://dx.doi.org/10.1177/026119298801500403.
Pełny tekst źródłaWoods, Christopher J., Maturos Malaisree, Julien Michel, Ben Long, Simon McIntosh-Smith i Adrian J. Mulholland. "Rapid decomposition and visualisation of protein–ligand binding free energies by residue and by water". Faraday Discuss. 169 (2014): 477–99. http://dx.doi.org/10.1039/c3fd00125c.
Pełny tekst źródłaZou, Rui, Yubin Liu, Jie Zhao i Hegao Cai. "A Framework for Human-Robot-Human Physical Interaction Based on N-Player Game Theory". Sensors 20, nr 17 (3.09.2020): 5005. http://dx.doi.org/10.3390/s20175005.
Pełny tekst źródłaZhang, Yuqi, Li Chen, Xiaoyu Wang, Yanyan Zhu, Yongsheng Liu, Huiyu Li i Qingjie Zhao. "Interactive Mechanism of Potential Inhibitors with Glycosyl for SARS-CoV-2 by Molecular Dynamics Simulation". Processes 9, nr 10 (29.09.2021): 1749. http://dx.doi.org/10.3390/pr9101749.
Pełny tekst źródłaJungck, John R., Holly Gaff i Anton E. Weisstein. "Mathematical Manipulative Models: In Defense of “Beanbag Biology”". CBE—Life Sciences Education 9, nr 3 (wrzesień 2010): 201–11. http://dx.doi.org/10.1187/cbe.10-03-0040.
Pełny tekst źródłaStevens, Ron, David F. Johnson i Amy Soller. "Probabilities and Predictions: Modeling the Development of Scientific Problem-Solving Skills". Cell Biology Education 4, nr 1 (marzec 2005): 42–57. http://dx.doi.org/10.1187/cbe.04-03-0036.
Pełny tekst źródłaTieleman, D. P., B. I. Sejdiu, E. A. Cino, P. Smith, E. Barreto-Ojeda, H. M. Khan i V. Corradi. "Insights into lipid-protein interactions from computer simulations". Biophysical Reviews 13, nr 6 (3.11.2021): 1019–27. http://dx.doi.org/10.1007/s12551-021-00876-9.
Pełny tekst źródłaYang, Peng, Peng Liu i Junmao Li. "The Regulatory Network of Gastric Cancer Pathogenesis and Its Potential Therapeutic Active Ingredients of Traditional Chinese Medicine Based on Bioinformatics, Molecular Docking, and Molecular Dynamics Simulation". Evidence-Based Complementary and Alternative Medicine 2022 (26.11.2022): 1–17. http://dx.doi.org/10.1155/2022/5005498.
Pełny tekst źródłaLoftus, Neil, i Husnu S. Narman. "Use of Machine Learning in Interactive Cybersecurity and Network Education". Sensors 23, nr 6 (9.03.2023): 2977. http://dx.doi.org/10.3390/s23062977.
Pełny tekst źródłaBrown, Guy J., Godfrey G. S. Collins, David G. Dewhurst i Ian E. Hughes. "Computer Simulations in Teaching Neuromuscular Pharmacology—Time for a Change from Traditional Methods?" Alternatives to Laboratory Animals 16, nr 2 (grudzień 1988): 163–74. http://dx.doi.org/10.1177/026119298801600207.
Pełny tekst źródłaChakrabarty, Broto, Varun Naganathan, Kanak Garg, Yash Agarwal i Nita Parekh. "NAPS update: network analysis of molecular dynamics data and protein–nucleic acid complexes". Nucleic Acids Research 47, W1 (20.05.2019): W462—W470. http://dx.doi.org/10.1093/nar/gkz399.
Pełny tekst źródłaZou, Yu, Zhiwei Liu, Zhiqiang Zhu i Zhenyu Qian. "Structural Influence and Interactive Binding Behavior of Dopamine and Norepinephrine on the Greek-Key-Like Core of α-Synuclein Protofibril Revealed by Molecular Dynamics Simulations". Processes 7, nr 11 (13.11.2019): 850. http://dx.doi.org/10.3390/pr7110850.
Pełny tekst źródłaByregowda, Bharath Harohalli, Krishnaprasad Baby, Swastika Maity, Usha Yogendra Nayak, Gayathri S, Shaik Mohammad Fayaz i Yogendra Nayak. "Network pharmacology and in silico approaches to uncover multitargeted mechanism of action of Zingiber zerumbet rhizomes for the treatment of idiopathic pulmonary fibrosis". F1000Research 13 (22.03.2024): 216. http://dx.doi.org/10.12688/f1000research.142513.1.
Pełny tekst źródłaPavlov, Evgen, Makoto Taiji, Arturs Scukins, Anton Markesteijn, Sergey Karabasov i Dmitry Nerukh. "Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space". Faraday Discuss. 169 (2014): 285–302. http://dx.doi.org/10.1039/c3fd00159h.
Pełny tekst źródłaPark, Chailim, i Heewon Kye. "Efficient Massive Computing for Deformable Volume Data Using Revised Parallel Resampling". Sensors 22, nr 16 (20.08.2022): 6276. http://dx.doi.org/10.3390/s22166276.
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