Artigos de revistas sobre o tema "Interactive molecular simulations"
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Rapaport, D. C., e Harvey Gould. "An introduction to interactive molecular-dynamics simulations". Computers in Physics 11, n.º 4 (1997): 337. http://dx.doi.org/10.1063/1.168612.
Texto completo da fonteLanrezac, André, Benoist Laurent, Hubert Santuz, Nicolas Férey e Marc Baaden. "Fast and Interactive Positioning of Proteins within Membranes". Algorithms 15, n.º 11 (7 de novembro de 2022): 415. http://dx.doi.org/10.3390/a15110415.
Texto completo da fonteDelalande, Olivier, Nicolas Férey, Gilles Grasseau e Marc Baaden. "Complex molecular assemblies at hand via interactive simulations". Journal of Computational Chemistry 30, n.º 15 (30 de novembro de 2009): 2375–87. http://dx.doi.org/10.1002/jcc.21235.
Texto completo da fonteLahlali, Abdelouahed, Nadia Chafiq, Mohamed Radid, Kamal Moundy e 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, n.º 12 (21 de junho de 2023): 193–207. http://dx.doi.org/10.3991/ijet.v18i12.39755.
Texto completo da fonteDunn, Justin, e Umesh Ramnarain. "The Effect of Simulation-Supported Inquiry on South African Natural Sciences Learners’ Understanding of Atomic and Molecular Structures". Education Sciences 10, n.º 10 (14 de outubro de 2020): 280. http://dx.doi.org/10.3390/educsci10100280.
Texto completo da fonteGoret, G., B. Aoun e E. Pellegrini. "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations". Journal of Chemical Information and Modeling 57, n.º 1 (6 de janeiro de 2017): 1–5. http://dx.doi.org/10.1021/acs.jcim.6b00571.
Texto completo da fonteWhite, Brian T., e Ethan D. Bolker. "Interactive computer simulations of genetics, biochemistry, and molecular biology". Biochemistry and Molecular Biology Education 36, n.º 1 (janeiro de 2008): 77–84. http://dx.doi.org/10.1002/bmb.20152.
Texto completo da fonteSego, T. J., James P. Sluka, Herbert M. Sauro e James A. Glazier. "Tissue Forge: Interactive biological and biophysics simulation environment". PLOS Computational Biology 19, n.º 10 (23 de outubro de 2023): e1010768. http://dx.doi.org/10.1371/journal.pcbi.1010768.
Texto completo da fonteCruz-neira, C., R. Langley e P. A. Bash. "Interactive Molecular Modeling with Virtual Reality and Empirical Energy Simulations". SAR and QSAR in Environmental Research 9, n.º 1-2 (janeiro de 1998): 39–51. http://dx.doi.org/10.1080/10629369808039148.
Texto completo da fonteMcCluskey, Andrew R., James Grant, Adam R. Symington, Tim Snow, James Doutch, Benjamin J. Morgan, Stephen C. Parker e Karen J. Edler. "An introduction to classical molecular dynamics simulation for experimental scattering users". Journal of Applied Crystallography 52, n.º 3 (7 de maio de 2019): 665–68. http://dx.doi.org/10.1107/s1600576719004333.
Texto completo da fonteGlowacki, David R., Michael O'Connor, Gaetano Calabró, James Price, Philip Tew, Thomas Mitchell, Joseph Hyde, David P. Tew, David J. Coughtrie e 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.
Texto completo da fonteAstsatryan, Hrachya, Wahi Narsisian, Eliza Gyulgyulyan, Vardan Baghdasaryan, Armen Poghosyan, Yevgeni Mamasakhlisov e Peter Wittenburg. "An Integrated Web-based Interactive Data Platform for Molecular Dynamics Simulations". Scalable Computing: Practice and Experience 19, n.º 2 (10 de maio de 2018): 131–38. http://dx.doi.org/10.12694/scpe.v19i2.1337.
Texto completo da fonteByška, J., T. Trautner, S. M. Marques, J. Damborský, B. Kozlíková e M. Waldner. "Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization". Computer Graphics Forum 38, n.º 3 (junho de 2019): 441–53. http://dx.doi.org/10.1111/cgf.13701.
Texto completo da fonteWhitworth, Karen, Sarah Leupen, Chistopher Rakes e Mauricio Bustos. "Interactive Computer Simulations as Pedagogical Tools in Biology Labs". CBE—Life Sciences Education 17, n.º 3 (setembro de 2018): ar46. http://dx.doi.org/10.1187/cbe.17-09-0208.
Texto completo da fonteDreher, Matthieu, Jessica Prevoteau-Jonquet, Mikael Trellet, Marc Piuzzi, Marc Baaden, Bruno Raffin, Nicolas Ferey, Sophie Robert e 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.
Texto completo da fontePoppleton, Erik, Roger Romero, Aatmik Mallya, Lorenzo Rovigatti e Petr Šulc. "OxDNA.org: a public webserver for coarse-grained simulations of DNA and RNA nanostructures". Nucleic Acids Research 49, W1 (1 de maio de 2021): W491—W498. http://dx.doi.org/10.1093/nar/gkab324.
Texto completo da fonteColubri, Andrés, Molly Kemball, Kian Sani, Chloe Boehm, Karen Mutch-Jones, Ben Fry, Todd Brown e Pardis C. Sabeti. "Preventing Outbreaks through Interactive, Experiential Real-Life Simulations". Cell 182, n.º 6 (setembro de 2020): 1366–71. http://dx.doi.org/10.1016/j.cell.2020.08.042.
Texto completo da fonteROBLES, MIGUEL, VILLE MUSTONEN e KIMMO KASKI. "MOLECULAR DYNAMIC STUDY OF A SINGLE DISLOCATION IN A TWO-DIMENSIONAL LENNARD–JONES SYSTEM". International Journal of Modern Physics C 14, n.º 04 (maio de 2003): 407–21. http://dx.doi.org/10.1142/s0129183103004620.
Texto completo da fontePandi, Sangavi, Langeswaran Kulanthaivel, Gowtham Kumar Subbaraj, Sangeetha Rajaram e Senthilkumar Subramanian. "Screening of Potential Breast Cancer Inhibitors through Molecular Docking and Molecular Dynamics Simulation". BioMed Research International 2022 (28 de junho de 2022): 1–9. http://dx.doi.org/10.1155/2022/3338549.
Texto completo da fonteDubois, Marc-André, Xavier Bouju e Alain Rochefort. "Toward interactive scanning tunneling microscopy simulations of large-scale molecular systems in real time". Journal of Applied Physics 124, n.º 4 (28 de julho de 2018): 044301. http://dx.doi.org/10.1063/1.5037443.
Texto completo da fonteMarforio, Tainah Dorina, Alessandro Calza, Edoardo Jun Mattioli, Francesco Zerbetto e 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, n.º 21 (26 de outubro de 2021): 11567. http://dx.doi.org/10.3390/ijms222111567.
Texto completo da fonteGauthier, Andrea. "Game and Simulation Stimulate Conceptual Change about Molecular Emergence in Different Ways, with Potential Cultural Implications". Education Sciences 14, n.º 4 (31 de março de 2024): 366. http://dx.doi.org/10.3390/educsci14040366.
Texto completo da fonteYang, Jiantao, e Tairen Sun. "Finite-Time Interactive Control of Robots with Multiple Interaction Modes". Sensors 22, n.º 10 (11 de maio de 2022): 3668. http://dx.doi.org/10.3390/s22103668.
Texto completo da fonteTorrens-Fontanals, Mariona, Alejandro Peralta-García, Carmine Talarico, Ramon Guixà-González, Toni Giorgino e Jana Selent. "SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions". Nucleic Acids Research 50, n.º D1 (11 de novembro de 2021): D858—D866. http://dx.doi.org/10.1093/nar/gkab977.
Texto completo da fonteSellis, Diamantis, Dimitrios Vlachakis e Metaxia Vlassi. "Gromita: A Fully Integrated Graphical user Interface to Gromacs 4". Bioinformatics and Biology Insights 3 (janeiro de 2009): BBI.S3207. http://dx.doi.org/10.4137/bbi.s3207.
Texto completo da fonteAbdi, Sayed Aliul Hasan, Amena Ali, Shabihul Fatma Sayed, Mohamed Jawed Ahsan, Abu Tahir, Wasim Ahmad, Shatrunajay Shukla e Abuzer Ali. "Morusflavone, a New Therapeutic Candidate for Prostate Cancer by CYP17A1 Inhibition: Exhibited by Molecular Docking and Dynamics Simulation". Plants 10, n.º 9 (14 de setembro de 2021): 1912. http://dx.doi.org/10.3390/plants10091912.
Texto completo da fonteLoya, Adil, Antash Najib, Fahad Aziz, Asif Khan, Guogang Ren e Kun Luo. "Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids". Beilstein Journal of Nanotechnology 13 (7 de julho de 2022): 620–28. http://dx.doi.org/10.3762/bjnano.13.54.
Texto completo da fonteAllain, Ariane, Isaure Chauvot de Beauchêne, Florent Langenfeld, Yann Guarracino, Elodie Laine e 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.
Texto completo da fonteClarke, Kenneth A. "Microcomputer Simulations of Mechanical Properties of Skeletal Muscle for Undergraduate Classes". Alternatives to Laboratory Animals 15, n.º 3 (março de 1988): 183–87. http://dx.doi.org/10.1177/026119298801500303.
Texto completo da fonteMolza, A. E., N. Férey, M. Czjzek, E. Le Rumeur, J. F. Hubert, A. Tek, B. Laurent, M. Baaden e 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.
Texto completo da fonteNakano, Aiichiro, Rajiv K. Kalia, Priya Vashishta, Timothy J. Campbell, Shuji Ogata, Fuyuki Shimojo e Subhash Saini. "Scalable Atomistic Simulation Algorithms for Materials Research". Scientific Programming 10, n.º 4 (2002): 263–70. http://dx.doi.org/10.1155/2002/203525.
Texto completo da fonteHokkanen, J. E. "Visual simulations, artificial animals and virtual ecosystems". Journal of Experimental Biology 202, n.º 23 (1 de dezembro de 1999): 3477–84. http://dx.doi.org/10.1242/jeb.202.23.3477.
Texto completo da fonteRusu, Victor H., Denys E. S. Santos, Marcelo D. Poleto, Marcelo M. Galheigo, Antônio T. A. Gomes, Hugo Verli, Thereza A. Soares e 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, n.º 12 (19 de novembro de 2020): 5923–27. http://dx.doi.org/10.1021/acs.jcim.0c01168.
Texto completo da fonteErtl, Thomas, Michael Krone, Stefan Kesselheim, Katrin Scharnowski, Guido Reina e Christian Holm. "Visual analysis for space–time aggregation of biomolecular simulations". Faraday Discuss. 169 (2014): 167–78. http://dx.doi.org/10.1039/c3fd00156c.
Texto completo da fonteStone, John E., Ryan McGreevy, Barry Isralewitz e 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.
Texto completo da fonteDewhurst, David G., Guy J. Brown e Anthony S. Meehan. "Microcomputer Simulations of Laboratory Experiments in Physiology". Alternatives to Laboratory Animals 15, n.º 4 (junho de 1988): 280–89. http://dx.doi.org/10.1177/026119298801500403.
Texto completo da fonteWoods, Christopher J., Maturos Malaisree, Julien Michel, Ben Long, Simon McIntosh-Smith e 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.
Texto completo da fonteZou, Rui, Yubin Liu, Jie Zhao e Hegao Cai. "A Framework for Human-Robot-Human Physical Interaction Based on N-Player Game Theory". Sensors 20, n.º 17 (3 de setembro de 2020): 5005. http://dx.doi.org/10.3390/s20175005.
Texto completo da fonteZhang, Yuqi, Li Chen, Xiaoyu Wang, Yanyan Zhu, Yongsheng Liu, Huiyu Li e Qingjie Zhao. "Interactive Mechanism of Potential Inhibitors with Glycosyl for SARS-CoV-2 by Molecular Dynamics Simulation". Processes 9, n.º 10 (29 de setembro de 2021): 1749. http://dx.doi.org/10.3390/pr9101749.
Texto completo da fonteJungck, John R., Holly Gaff e Anton E. Weisstein. "Mathematical Manipulative Models: In Defense of “Beanbag Biology”". CBE—Life Sciences Education 9, n.º 3 (setembro de 2010): 201–11. http://dx.doi.org/10.1187/cbe.10-03-0040.
Texto completo da fonteStevens, Ron, David F. Johnson e Amy Soller. "Probabilities and Predictions: Modeling the Development of Scientific Problem-Solving Skills". Cell Biology Education 4, n.º 1 (março de 2005): 42–57. http://dx.doi.org/10.1187/cbe.04-03-0036.
Texto completo da fonteTieleman, D. P., B. I. Sejdiu, E. A. Cino, P. Smith, E. Barreto-Ojeda, H. M. Khan e V. Corradi. "Insights into lipid-protein interactions from computer simulations". Biophysical Reviews 13, n.º 6 (3 de novembro de 2021): 1019–27. http://dx.doi.org/10.1007/s12551-021-00876-9.
Texto completo da fonteYang, Peng, Peng Liu e 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 de novembro de 2022): 1–17. http://dx.doi.org/10.1155/2022/5005498.
Texto completo da fonteLoftus, Neil, e Husnu S. Narman. "Use of Machine Learning in Interactive Cybersecurity and Network Education". Sensors 23, n.º 6 (9 de março de 2023): 2977. http://dx.doi.org/10.3390/s23062977.
Texto completo da fonteBrown, Guy J., Godfrey G. S. Collins, David G. Dewhurst e Ian E. Hughes. "Computer Simulations in Teaching Neuromuscular Pharmacology—Time for a Change from Traditional Methods?" Alternatives to Laboratory Animals 16, n.º 2 (dezembro de 1988): 163–74. http://dx.doi.org/10.1177/026119298801600207.
Texto completo da fonteChakrabarty, Broto, Varun Naganathan, Kanak Garg, Yash Agarwal e Nita Parekh. "NAPS update: network analysis of molecular dynamics data and protein–nucleic acid complexes". Nucleic Acids Research 47, W1 (20 de maio de 2019): W462—W470. http://dx.doi.org/10.1093/nar/gkz399.
Texto completo da fonteZou, Yu, Zhiwei Liu, Zhiqiang Zhu e 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, n.º 11 (13 de novembro de 2019): 850. http://dx.doi.org/10.3390/pr7110850.
Texto completo da fonteByregowda, Bharath Harohalli, Krishnaprasad Baby, Swastika Maity, Usha Yogendra Nayak, Gayathri S, Shaik Mohammad Fayaz e 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 de março de 2024): 216. http://dx.doi.org/10.12688/f1000research.142513.1.
Texto completo da fontePavlov, Evgen, Makoto Taiji, Arturs Scukins, Anton Markesteijn, Sergey Karabasov e 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.
Texto completo da fontePark, Chailim, e Heewon Kye. "Efficient Massive Computing for Deformable Volume Data Using Revised Parallel Resampling". Sensors 22, n.º 16 (20 de agosto de 2022): 6276. http://dx.doi.org/10.3390/s22166276.
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