Articoli di riviste sul 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. 4 (1997): 337. http://dx.doi.org/10.1063/1.168612.
Lanrezac, André, Benoist Laurent, Hubert Santuz, Nicolas Férey e Marc Baaden. "Fast and Interactive Positioning of Proteins within Membranes". Algorithms 15, n. 11 (7 novembre 2022): 415. http://dx.doi.org/10.3390/a15110415.
Delalande, Olivier, Nicolas Férey, Gilles Grasseau e Marc Baaden. "Complex molecular assemblies at hand via interactive simulations". Journal of Computational Chemistry 30, n. 15 (30 novembre 2009): 2375–87. http://dx.doi.org/10.1002/jcc.21235.
Lahlali, 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. 12 (21 giugno 2023): 193–207. http://dx.doi.org/10.3991/ijet.v18i12.39755.
Dunn, 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. 10 (14 ottobre 2020): 280. http://dx.doi.org/10.3390/educsci10100280.
Goret, G., B. Aoun e E. Pellegrini. "MDANSE: An Interactive Analysis Environment for Molecular Dynamics Simulations". Journal of Chemical Information and Modeling 57, n. 1 (6 gennaio 2017): 1–5. http://dx.doi.org/10.1021/acs.jcim.6b00571.
White, Brian T., e Ethan D. Bolker. "Interactive computer simulations of genetics, biochemistry, and molecular biology". Biochemistry and Molecular Biology Education 36, n. 1 (gennaio 2008): 77–84. http://dx.doi.org/10.1002/bmb.20152.
Sego, 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. 10 (23 ottobre 2023): e1010768. http://dx.doi.org/10.1371/journal.pcbi.1010768.
Cruz-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. 1-2 (gennaio 1998): 39–51. http://dx.doi.org/10.1080/10629369808039148.
McCluskey, 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. 3 (7 maggio 2019): 665–68. http://dx.doi.org/10.1107/s1600576719004333.
Glowacki, 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.
Astsatryan, 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. 2 (10 maggio 2018): 131–38. http://dx.doi.org/10.12694/scpe.v19i2.1337.
Byška, 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. 3 (giugno 2019): 441–53. http://dx.doi.org/10.1111/cgf.13701.
Whitworth, Karen, Sarah Leupen, Chistopher Rakes e Mauricio Bustos. "Interactive Computer Simulations as Pedagogical Tools in Biology Labs". CBE—Life Sciences Education 17, n. 3 (settembre 2018): ar46. http://dx.doi.org/10.1187/cbe.17-09-0208.
Dreher, 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.
Poppleton, 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 maggio 2021): W491—W498. http://dx.doi.org/10.1093/nar/gkab324.
Colubri, 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. 6 (settembre 2020): 1366–71. http://dx.doi.org/10.1016/j.cell.2020.08.042.
ROBLES, 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. 04 (maggio 2003): 407–21. http://dx.doi.org/10.1142/s0129183103004620.
Pandi, 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 giugno 2022): 1–9. http://dx.doi.org/10.1155/2022/3338549.
Dubois, 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. 4 (28 luglio 2018): 044301. http://dx.doi.org/10.1063/1.5037443.
Marforio, 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. 21 (26 ottobre 2021): 11567. http://dx.doi.org/10.3390/ijms222111567.
Gauthier, Andrea. "Game and Simulation Stimulate Conceptual Change about Molecular Emergence in Different Ways, with Potential Cultural Implications". Education Sciences 14, n. 4 (31 marzo 2024): 366. http://dx.doi.org/10.3390/educsci14040366.
Yang, Jiantao, e Tairen Sun. "Finite-Time Interactive Control of Robots with Multiple Interaction Modes". Sensors 22, n. 10 (11 maggio 2022): 3668. http://dx.doi.org/10.3390/s22103668.
Torrens-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. D1 (11 novembre 2021): D858—D866. http://dx.doi.org/10.1093/nar/gkab977.
Sellis, Diamantis, Dimitrios Vlachakis e Metaxia Vlassi. "Gromita: A Fully Integrated Graphical user Interface to Gromacs 4". Bioinformatics and Biology Insights 3 (gennaio 2009): BBI.S3207. http://dx.doi.org/10.4137/bbi.s3207.
Abdi, 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. 9 (14 settembre 2021): 1912. http://dx.doi.org/10.3390/plants10091912.
Loya, 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 luglio 2022): 620–28. http://dx.doi.org/10.3762/bjnano.13.54.
Allain, 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.
Clarke, Kenneth A. "Microcomputer Simulations of Mechanical Properties of Skeletal Muscle for Undergraduate Classes". Alternatives to Laboratory Animals 15, n. 3 (marzo 1988): 183–87. http://dx.doi.org/10.1177/026119298801500303.
Molza, 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.
Nakano, 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. 4 (2002): 263–70. http://dx.doi.org/10.1155/2002/203525.
Hokkanen, J. E. "Visual simulations, artificial animals and virtual ecosystems". Journal of Experimental Biology 202, n. 23 (1 dicembre 1999): 3477–84. http://dx.doi.org/10.1242/jeb.202.23.3477.
Rusu, 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. 12 (19 novembre 2020): 5923–27. http://dx.doi.org/10.1021/acs.jcim.0c01168.
Ertl, 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.
Stone, 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.
Dewhurst, David G., Guy J. Brown e Anthony S. Meehan. "Microcomputer Simulations of Laboratory Experiments in Physiology". Alternatives to Laboratory Animals 15, n. 4 (giugno 1988): 280–89. http://dx.doi.org/10.1177/026119298801500403.
Woods, 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.
Zou, 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. 17 (3 settembre 2020): 5005. http://dx.doi.org/10.3390/s20175005.
Zhang, 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. 10 (29 settembre 2021): 1749. http://dx.doi.org/10.3390/pr9101749.
Jungck, John R., Holly Gaff e Anton E. Weisstein. "Mathematical Manipulative Models: In Defense of “Beanbag Biology”". CBE—Life Sciences Education 9, n. 3 (settembre 2010): 201–11. http://dx.doi.org/10.1187/cbe.10-03-0040.
Stevens, Ron, David F. Johnson e Amy Soller. "Probabilities and Predictions: Modeling the Development of Scientific Problem-Solving Skills". Cell Biology Education 4, n. 1 (marzo 2005): 42–57. http://dx.doi.org/10.1187/cbe.04-03-0036.
Tieleman, 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. 6 (3 novembre 2021): 1019–27. http://dx.doi.org/10.1007/s12551-021-00876-9.
Yang, 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 novembre 2022): 1–17. http://dx.doi.org/10.1155/2022/5005498.
Loftus, Neil, e Husnu S. Narman. "Use of Machine Learning in Interactive Cybersecurity and Network Education". Sensors 23, n. 6 (9 marzo 2023): 2977. http://dx.doi.org/10.3390/s23062977.
Brown, 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. 2 (dicembre 1988): 163–74. http://dx.doi.org/10.1177/026119298801600207.
Chakrabarty, 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 maggio 2019): W462—W470. http://dx.doi.org/10.1093/nar/gkz399.
Zou, 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. 11 (13 novembre 2019): 850. http://dx.doi.org/10.3390/pr7110850.
Byregowda, 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 marzo 2024): 216. http://dx.doi.org/10.12688/f1000research.142513.1.
Pavlov, 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.
Park, Chailim, e Heewon Kye. "Efficient Massive Computing for Deformable Volume Data Using Revised Parallel Resampling". Sensors 22, n. 16 (20 agosto 2022): 6276. http://dx.doi.org/10.3390/s22166276.