Artículos de revistas sobre el tema "Complex systems- Molecular dynamics study"
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Borodin, Vladislav, Mikhail Bubenchikov, Alexey Bubenchikov, Dmitriy Mamontov, Sergey Azheev y Alexandr Azheev. "Study of the Unstable Rotational Dynamics of a Tor-Fullerene Molecular System". Crystals 13, n.º 2 (20 de enero de 2023): 181. http://dx.doi.org/10.3390/cryst13020181.
Texto completoKahana, Amit y Doron Lancet. "Protobiotic Systems Chemistry Analyzed by Molecular Dynamics". Life 9, n.º 2 (10 de mayo de 2019): 38. http://dx.doi.org/10.3390/life9020038.
Texto completoRapaport, D. C. "GPU molecular dynamics: Algorithms and performance". Journal of Physics: Conference Series 2241, n.º 1 (1 de marzo de 2022): 012007. http://dx.doi.org/10.1088/1742-6596/2241/1/012007.
Texto completoWang, Xiunan, Yi Liu, Jingcheng Xu, Shengjuan Li, Fada Zhang, Qian Ye, Xiao Zhai y Xinluo Zhao. "Molecular Dynamics Study of Stability and Diffusion of Graphene-Based Drug Delivery Systems". Journal of Nanomaterials 2015 (2015): 1–14. http://dx.doi.org/10.1155/2015/872079.
Texto completoPuzyrkov, Dmitry, Sergey Polyakov, Viktoriia Podryga y Sergey Markizov. "Concept of a Cloud Service for Data Preparation and Computational Control on Custom HPC Systems in Application to Molecular Dynamics". EPJ Web of Conferences 173 (2018): 05014. http://dx.doi.org/10.1051/epjconf/201817305014.
Texto completoBenton, Tim G., Stewart J. Plaistow y Tim N. Coulson. "Complex population dynamics and complex causation: devils, details and demography". Proceedings of the Royal Society B: Biological Sciences 273, n.º 1591 (29 de marzo de 2006): 1173–81. http://dx.doi.org/10.1098/rspb.2006.3495.
Texto completoPieroni, Michele, Francesco Madeddu, Jessica Di Martino, Manuel Arcieri, Valerio Parisi, Paolo Bottoni y Tiziana Castrignanò. "MD–Ligand–Receptor: A High-Performance Computing Tool for Characterizing Ligand–Receptor Binding Interactions in Molecular Dynamics Trajectories". International Journal of Molecular Sciences 24, n.º 14 (19 de julio de 2023): 11671. http://dx.doi.org/10.3390/ijms241411671.
Texto completoDomínguez, D., A. R. Bishop y N. Grønbech-Jensen. "Coherence and Complexity in Condensed Matter: Josephson Junction Arrays". International Journal of Bifurcation and Chaos 07, n.º 05 (mayo de 1997): 979–88. http://dx.doi.org/10.1142/s0218127497000790.
Texto completoHordijk, Wim, Mike Steel y Stuart Kauffman. "Molecular Diversity Required for the Formation of Autocatalytic Sets". Life 9, n.º 1 (1 de marzo de 2019): 23. http://dx.doi.org/10.3390/life9010023.
Texto completoCassone, Giuseppe, Adriano Sofia, Jiri Sponer, A. Marco Saitta y Franz Saija. "Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields". Molecules 25, n.º 15 (24 de julio de 2020): 3371. http://dx.doi.org/10.3390/molecules25153371.
Texto completoVieira, Ana Paula Bastos Ferreira, Natália de Farias Silva, Davi do Socorro Barros Brasil, José Otávio Carréra Silva Junior y Roseane Maria Ribeiro Costa. "Computational simulation of nanostructured lipid carrier containing lipids from Cupuassu (Theobroma grandiflorum) seed fat: Design, interaction and molecular dynamic study". Research, Society and Development 9, n.º 11 (7 de diciembre de 2020): e92191110433. http://dx.doi.org/10.33448/rsd-v9i11.10433.
Texto completoChavent, Matthieu, Tyler Reddy, Joseph Goose, Anna Caroline E. Dahl, John E. Stone, Bruno Jobard y Mark S. P. Sansom. "Methodologies for the analysis of instantaneous lipid diffusion in md simulations of large membrane systems". Faraday Discuss. 169 (2014): 455–75. http://dx.doi.org/10.1039/c3fd00145h.
Texto completoWysocka, Emilia M., Matthew Page, James Snowden y T. Ian Simpson. "Comparison of rule- and ordinary differential equation-based dynamic model of DARPP-32 signalling network". PeerJ 10 (15 de diciembre de 2022): e14516. http://dx.doi.org/10.7717/peerj.14516.
Texto completoSalehi, Mitra, Hanifeh Shariatifar, Morteza Ghanbari Johkool y Alireza Farasat. "A comprehensive study of HSA interaction with TMP using molecular docking and molecular dynamics methods: as an appropriate tool for drug delivery systems". Journal of Qazvin University of Medical Sciences 25, n.º 2 (6 de marzo de 2022): 6. http://dx.doi.org/10.32598/jqums.25.2.2125.1.
Texto completoJAKSE, NOEL y ALAIN PASTUREL. "LOCAL ORDER OF LIQUID AND UNDERCOOLED TRANSITION METAL BASED SYSTEMS: AB INITIO MOLECULAR DYNAMICS STUDY". Modern Physics Letters B 20, n.º 12 (20 de mayo de 2006): 655–74. http://dx.doi.org/10.1142/s0217984906011177.
Texto completoGrest, Gary S., Martin-D. Lacasse y Michael Murat. "Molecular-Dynamics Simulations of Polymer Surfaces and Interfaces". MRS Bulletin 22, n.º 1 (enero de 1997): 27–31. http://dx.doi.org/10.1557/s0883769400032309.
Texto completoThorneywork, Alice L., Jannes Gladrow, Yujia Qing, Marc Rico-Pasto, Felix Ritort, Hagan Bayley, Anatoly B. Kolomeisky y Ulrich F. Keyser. "Direct detection of molecular intermediates from first-passage times". Science Advances 6, n.º 18 (mayo de 2020): eaaz4642. http://dx.doi.org/10.1126/sciadv.aaz4642.
Texto completoUratani, Hiroki. "(Invited) Simulating Dynamic Excitons Via Quantum Molecular Dynamics: A Case Study in Lead Halide Perovskites". ECS Meeting Abstracts MA2022-01, n.º 13 (7 de julio de 2022): 904. http://dx.doi.org/10.1149/ma2022-0113904mtgabs.
Texto completoHofer, Thomas S. "Perspectives for hybrid ab initio/molecular mechanical simulations of solutions: from complex chemistry to proton-transfer reactions and interfaces". Pure and Applied Chemistry 86, n.º 2 (1 de febrero de 2014): 105–17. http://dx.doi.org/10.1515/pac-2014-5019.
Texto completoMonachino, Enrico, Lisanne M. Spenkelink y Antoine M. van Oijen. "Watching cellular machinery in action, one molecule at a time". Journal of Cell Biology 216, n.º 1 (15 de diciembre de 2016): 41–51. http://dx.doi.org/10.1083/jcb.201610025.
Texto completoYuhara, Daisuke, Brian C. Barnes, Donguk Suh, Brandon C. Knott, Gregg T. Beckham, Kenji Yasuoka, David T. Wu y Amadeu K. Sum. "Nucleation rate analysis of methane hydrate from molecular dynamics simulations". Faraday Discussions 179 (2015): 463–74. http://dx.doi.org/10.1039/c4fd00219a.
Texto completoČernušák, Ivan, Jozef Federič, Pavel Jungwirth y Milan Uhlár. "Effects of micro-hydration in proton transfer from H2S·NO+ complex to water: Ab initio and molecular dynamics study". Collection of Czechoslovak Chemical Communications 76, n.º 5 (2011): 585–603. http://dx.doi.org/10.1135/cccc2011047.
Texto completoHanel, Rudolf, Manfred Pöchacker y Stefan Thurner. "Living on the edge of chaos: minimally nonlinear models of genetic regulatory dynamics". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 368, n.º 1933 (28 de diciembre de 2010): 5583–96. http://dx.doi.org/10.1098/rsta.2010.0267.
Texto completoJadhav, Pankaj Vilas, Vikrant Kumar Sinha, Saurabh Chugh, Chaithanya Kotyada, Digvijay Bachhav, Ramandeep Singh, Ulli Rothweiler y Mahavir Singh. "2.09 Å Resolution structure of E. coli HigBA toxin–antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin". Biochemical Journal 477, n.º 20 (29 de octubre de 2020): 4001–19. http://dx.doi.org/10.1042/bcj20200363.
Texto completoKIRKILIONIS, MARKUS y LUCA SBANO. "AN AVERAGING PRINCIPLE FOR COMBINED INTERACTION GRAPHS — CONNECTIVITY AND APPLICATIONS TO GENETIC SWITCHES". Advances in Complex Systems 13, n.º 03 (junio de 2010): 293–326. http://dx.doi.org/10.1142/s0219525910002669.
Texto completoRose-Sperling, Dania, Mai Anh Tran, Luca M. Lauth, Benedikt Goretzki y Ute A. Hellmich. "19F NMR as a versatile tool to study membrane protein structure and dynamics". Biological Chemistry 400, n.º 10 (25 de octubre de 2019): 1277–88. http://dx.doi.org/10.1515/hsz-2018-0473.
Texto completoMalinowski, Adrian y Maciej Śmiechowski. "Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations". Liquids 2, n.º 3 (19 de septiembre de 2022): 243–57. http://dx.doi.org/10.3390/liquids2030015.
Texto completoFeskov, Sergey. "The Green’s Function Method for Evaluating the Transient Spectra of Non-Equilibrium Molecular Systems". Mathematical Physics and Computer Simulation, n.º 4 (diciembre de 2022): 95–106. http://dx.doi.org/10.15688/mpcm.jvolsu.2022.4.8.
Texto completoGranick, Steve. "Molecular Tribology". MRS Bulletin 16, n.º 10 (octubre de 1991): 33–35. http://dx.doi.org/10.1557/s0883769400055809.
Texto completoAlameddine, Abdallah K., Frederick Conlin y Brian Binnall. "An Introduction to the Mathematical Modeling in the Study of Cancer Systems Biology". Cancer Informatics 17 (enero de 2018): 117693511879975. http://dx.doi.org/10.1177/1176935118799754.
Texto completoPrawesh, Shankar y Balaji Padmanabhan. "A complex systems perspective of news recommender systems: Guiding emergent outcomes with feedback models". PLOS ONE 16, n.º 1 (7 de enero de 2021): e0245096. http://dx.doi.org/10.1371/journal.pone.0245096.
Texto completoYletyinen, Johanna, Örjan Bodin, Benjamin Weigel, Marie C. Nordström, Erik Bonsdorff y Thorsten Blenckner. "Regime shifts in marine communities: a complex systems perspective on food web dynamics". Proceedings of the Royal Society B: Biological Sciences 283, n.º 1825 (24 de febrero de 2016): 20152569. http://dx.doi.org/10.1098/rspb.2015.2569.
Texto completoMarquet, Franck, Filip Stojceski, Gianvito Grasso, Viorica Patrulea, Andrea Danani y Gerrit Borchard. "Characterization of the Interaction of Polymeric Micelles with siRNA: A Combined Experimental and Molecular Dynamics Study". Polymers 14, n.º 20 (19 de octubre de 2022): 4409. http://dx.doi.org/10.3390/polym14204409.
Texto completoNaudi-Fabra, Samuel, Martin Blackledge y Sigrid Milles. "Synergies of Single Molecule Fluorescence and NMR for the Study of Intrinsically Disordered Proteins". Biomolecules 12, n.º 1 (24 de diciembre de 2021): 27. http://dx.doi.org/10.3390/biom12010027.
Texto completoKarch, Rudolf, Claudia Stocsits, Nevena Ilieva y Wolfgang Schreiner. "Intramolecular Domain Movements of Free and Bound pMHC and TCR Proteins: A Molecular Dynamics Simulation Study". Cells 8, n.º 7 (13 de julio de 2019): 720. http://dx.doi.org/10.3390/cells8070720.
Texto completoTolstova, Anna P., Alexander A. Makarov y Alexei A. Adzhubei. "Zinc Induced Aβ16 Aggregation Modeled by Molecular Dynamics". International Journal of Molecular Sciences 22, n.º 22 (10 de noviembre de 2021): 12161. http://dx.doi.org/10.3390/ijms222212161.
Texto completoPaciolla, Mariarita, Daniel J. Arismendi-Arrieta y Angel J. Moreno. "Coarsening Kinetics of Complex Macromolecular Architectures in Bad Solvent". Polymers 12, n.º 3 (2 de marzo de 2020): 531. http://dx.doi.org/10.3390/polym12030531.
Texto completoContreras-Riquelme, Sebastián, Jose-Antonio Garate, Tomas Perez-Acle y Alberto J. M. Martin. "RIP-MD: a tool to study residue interaction networks in protein molecular dynamics". PeerJ 6 (7 de diciembre de 2018): e5998. http://dx.doi.org/10.7717/peerj.5998.
Texto completoKolesnikov, Andrey V. "Space and Molecular Human in the Process of Social Systems Digital Transformation in Belarus and Russia". AEROSPACE SPHERE JOURNAL, n.º 2 (26 de junio de 2021): 84–97. http://dx.doi.org/10.30981/2587-7992-2020-107-2-84-97.
Texto completoBanerjee, Sourav, Zoltan Jurek, Malik Muhammad Abdullah y Robin Santra. "Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays". Structural Dynamics 9, n.º 5 (septiembre de 2022): 054101. http://dx.doi.org/10.1063/4.0000166.
Texto completoGross, Thilo, Korinna T. Allhoff, Bernd Blasius, Ulrich Brose, Barbara Drossel, Ashkaan K. Fahimipour, Christian Guill, Justin D. Yeakel y Fanqi Zeng. "Modern models of trophic meta-communities". Philosophical Transactions of the Royal Society B: Biological Sciences 375, n.º 1814 (2 de noviembre de 2020): 20190455. http://dx.doi.org/10.1098/rstb.2019.0455.
Texto completoIschenko, A. A., Y. I. Tarasov y L. Schäfer. "STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE". Fine Chemical Technologies 12, n.º 2 (28 de abril de 2017): 5–33. http://dx.doi.org/10.32362/2410-6593-2017-12-2-5-33.
Texto completoRAFIKOV, MARAT, JOSÉ MANOEL BALTHAZAR y HUBERTUS F. VON BREMEN. "MANAGEMENT OF COMPLEX SYSTEMS: MODELING THE BIOLOGICAL PEST CONTROL". Biophysical Reviews and Letters 03, n.º 01n02 (abril de 2008): 241–56. http://dx.doi.org/10.1142/s1793048008000721.
Texto completoLi, Conghui, Xiaolu Han, Xiaoxuan Hong, Xianfu Li, Hui Zhang, Zengming Wang y Aiping Zheng. "Study on the Complexation and Release Mechanism of Methylphenidate Hydrochloride Ion Exchange Resin Complex". Polymers 13, n.º 24 (15 de diciembre de 2021): 4394. http://dx.doi.org/10.3390/polym13244394.
Texto completoPoghosyan, Armen, Hrachya Astsatryan, Wahi Narsisian y Yevgeni Mamasakhlisov. "On the Performance and Energy Consumption of Molecular Dynamics Applications for Heterogeneous CPU-GPU Platforms Based on Gromacs". Cybernetics and Information Technologies 17, n.º 5 (20 de diciembre de 2017): 68–80. http://dx.doi.org/10.1515/cait-2017-0056.
Texto completoLiu, Gang y Yi Ping Yao. "Large Scale Molecular Dynamics Simulation of Femtosecond Laser Ablation of Silicon Using Sensing-VISICOM". Advanced Materials Research 418-420 (diciembre de 2011): 1330–37. http://dx.doi.org/10.4028/www.scientific.net/amr.418-420.1330.
Texto completoBruner, Barry D., Zdeněk Mašín, Matteo Negro, Felipe Morales, Danilo Brambila, Michele Devetta, Davide Faccialà et al. "Multidimensional high harmonic spectroscopy of polyatomic molecules: detecting sub-cycle laser-driven hole dynamics upon ionization in strong mid-IR laser fields". Faraday Discussions 194 (2016): 369–405. http://dx.doi.org/10.1039/c6fd00130k.
Texto completoEscalona, Yerko, Drazen Petrov, Edgar Galicia-Andrés y Chris Oostenbrink. "Exploring the Macroscopic Properties of Humic Substances Using Modeling and Molecular Simulations". Agronomy 13, n.º 4 (1 de abril de 2023): 1044. http://dx.doi.org/10.3390/agronomy13041044.
Texto completoZhang, Shitao, Shuai Lv, Xueqi Fu, Lu Han, Weiwei Han y Wannan Li. "Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates". Molecules 26, n.º 21 (27 de octubre de 2021): 6492. http://dx.doi.org/10.3390/molecules26216492.
Texto completoSefidkar, Narmin, Samira Fathizadeh, Fatemeh Nemati y Constantinos Simserides. "Energy Transport along α-Helix Protein Chains: External Drives and Multifractal Analysis". Materials 15, n.º 8 (10 de abril de 2022): 2779. http://dx.doi.org/10.3390/ma15082779.
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