Статті в журналах з теми "Complex systems- Molecular dynamics study"
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Borodin, Vladislav, Mikhail Bubenchikov, Alexey Bubenchikov, Dmitriy Mamontov, Sergey Azheev, and Alexandr Azheev. "Study of the Unstable Rotational Dynamics of a Tor-Fullerene Molecular System." Crystals 13, no. 2 (January 20, 2023): 181. http://dx.doi.org/10.3390/cryst13020181.
Повний текст джерелаKahana, Amit, and Doron Lancet. "Protobiotic Systems Chemistry Analyzed by Molecular Dynamics." Life 9, no. 2 (May 10, 2019): 38. http://dx.doi.org/10.3390/life9020038.
Повний текст джерелаRapaport, D. C. "GPU molecular dynamics: Algorithms and performance." Journal of Physics: Conference Series 2241, no. 1 (March 1, 2022): 012007. http://dx.doi.org/10.1088/1742-6596/2241/1/012007.
Повний текст джерелаWang, Xiunan, Yi Liu, Jingcheng Xu, Shengjuan Li, Fada Zhang, Qian Ye, Xiao Zhai, and 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.
Повний текст джерелаPuzyrkov, Dmitry, Sergey Polyakov, Viktoriia Podryga, and 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.
Повний текст джерелаBenton, Tim G., Stewart J. Plaistow, and Tim N. Coulson. "Complex population dynamics and complex causation: devils, details and demography." Proceedings of the Royal Society B: Biological Sciences 273, no. 1591 (March 29, 2006): 1173–81. http://dx.doi.org/10.1098/rspb.2006.3495.
Повний текст джерелаPieroni, Michele, Francesco Madeddu, Jessica Di Martino, Manuel Arcieri, Valerio Parisi, Paolo Bottoni, and 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, no. 14 (July 19, 2023): 11671. http://dx.doi.org/10.3390/ijms241411671.
Повний текст джерелаDomínguez, D., A. R. Bishop, and N. Grønbech-Jensen. "Coherence and Complexity in Condensed Matter: Josephson Junction Arrays." International Journal of Bifurcation and Chaos 07, no. 05 (May 1997): 979–88. http://dx.doi.org/10.1142/s0218127497000790.
Повний текст джерелаHordijk, Wim, Mike Steel, and Stuart Kauffman. "Molecular Diversity Required for the Formation of Autocatalytic Sets." Life 9, no. 1 (March 1, 2019): 23. http://dx.doi.org/10.3390/life9010023.
Повний текст джерелаCassone, Giuseppe, Adriano Sofia, Jiri Sponer, A. Marco Saitta, and Franz Saija. "Ab Initio Molecular Dynamics Study of Methanol-Water Mixtures under External Electric Fields." Molecules 25, no. 15 (July 24, 2020): 3371. http://dx.doi.org/10.3390/molecules25153371.
Повний текст джерелаVieira, Ana Paula Bastos Ferreira, Natália de Farias Silva, Davi do Socorro Barros Brasil, José Otávio Carréra Silva Junior, and 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, no. 11 (December 7, 2020): e92191110433. http://dx.doi.org/10.33448/rsd-v9i11.10433.
Повний текст джерелаChavent, Matthieu, Tyler Reddy, Joseph Goose, Anna Caroline E. Dahl, John E. Stone, Bruno Jobard, and 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.
Повний текст джерелаWysocka, Emilia M., Matthew Page, James Snowden, and T. Ian Simpson. "Comparison of rule- and ordinary differential equation-based dynamic model of DARPP-32 signalling network." PeerJ 10 (December 15, 2022): e14516. http://dx.doi.org/10.7717/peerj.14516.
Повний текст джерелаSalehi, Mitra, Hanifeh Shariatifar, Morteza Ghanbari Johkool, and 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, no. 2 (March 6, 2022): 6. http://dx.doi.org/10.32598/jqums.25.2.2125.1.
Повний текст джерелаJAKSE, NOEL, and ALAIN PASTUREL. "LOCAL ORDER OF LIQUID AND UNDERCOOLED TRANSITION METAL BASED SYSTEMS: AB INITIO MOLECULAR DYNAMICS STUDY." Modern Physics Letters B 20, no. 12 (May 20, 2006): 655–74. http://dx.doi.org/10.1142/s0217984906011177.
Повний текст джерелаGrest, Gary S., Martin-D. Lacasse, and Michael Murat. "Molecular-Dynamics Simulations of Polymer Surfaces and Interfaces." MRS Bulletin 22, no. 1 (January 1997): 27–31. http://dx.doi.org/10.1557/s0883769400032309.
Повний текст джерелаThorneywork, Alice L., Jannes Gladrow, Yujia Qing, Marc Rico-Pasto, Felix Ritort, Hagan Bayley, Anatoly B. Kolomeisky, and Ulrich F. Keyser. "Direct detection of molecular intermediates from first-passage times." Science Advances 6, no. 18 (May 2020): eaaz4642. http://dx.doi.org/10.1126/sciadv.aaz4642.
Повний текст джерелаUratani, Hiroki. "(Invited) Simulating Dynamic Excitons Via Quantum Molecular Dynamics: A Case Study in Lead Halide Perovskites." ECS Meeting Abstracts MA2022-01, no. 13 (July 7, 2022): 904. http://dx.doi.org/10.1149/ma2022-0113904mtgabs.
Повний текст джерелаHofer, 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, no. 2 (February 1, 2014): 105–17. http://dx.doi.org/10.1515/pac-2014-5019.
Повний текст джерелаMonachino, Enrico, Lisanne M. Spenkelink, and Antoine M. van Oijen. "Watching cellular machinery in action, one molecule at a time." Journal of Cell Biology 216, no. 1 (December 15, 2016): 41–51. http://dx.doi.org/10.1083/jcb.201610025.
Повний текст джерелаYuhara, Daisuke, Brian C. Barnes, Donguk Suh, Brandon C. Knott, Gregg T. Beckham, Kenji Yasuoka, David T. Wu, and 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.
Повний текст джерелаČernušák, Ivan, Jozef Federič, Pavel Jungwirth, and 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, no. 5 (2011): 585–603. http://dx.doi.org/10.1135/cccc2011047.
Повний текст джерелаHanel, Rudolf, Manfred Pöchacker, and 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, no. 1933 (December 28, 2010): 5583–96. http://dx.doi.org/10.1098/rsta.2010.0267.
Повний текст джерелаJadhav, Pankaj Vilas, Vikrant Kumar Sinha, Saurabh Chugh, Chaithanya Kotyada, Digvijay Bachhav, Ramandeep Singh, Ulli Rothweiler, and 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, no. 20 (October 29, 2020): 4001–19. http://dx.doi.org/10.1042/bcj20200363.
Повний текст джерелаKIRKILIONIS, MARKUS, and LUCA SBANO. "AN AVERAGING PRINCIPLE FOR COMBINED INTERACTION GRAPHS — CONNECTIVITY AND APPLICATIONS TO GENETIC SWITCHES." Advances in Complex Systems 13, no. 03 (June 2010): 293–326. http://dx.doi.org/10.1142/s0219525910002669.
Повний текст джерелаRose-Sperling, Dania, Mai Anh Tran, Luca M. Lauth, Benedikt Goretzki, and Ute A. Hellmich. "19F NMR as a versatile tool to study membrane protein structure and dynamics." Biological Chemistry 400, no. 10 (October 25, 2019): 1277–88. http://dx.doi.org/10.1515/hsz-2018-0473.
Повний текст джерелаMalinowski, Adrian, and Maciej Śmiechowski. "Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations." Liquids 2, no. 3 (September 19, 2022): 243–57. http://dx.doi.org/10.3390/liquids2030015.
Повний текст джерелаFeskov, Sergey. "The Green’s Function Method for Evaluating the Transient Spectra of Non-Equilibrium Molecular Systems." Mathematical Physics and Computer Simulation, no. 4 (December 2022): 95–106. http://dx.doi.org/10.15688/mpcm.jvolsu.2022.4.8.
Повний текст джерелаGranick, Steve. "Molecular Tribology." MRS Bulletin 16, no. 10 (October 1991): 33–35. http://dx.doi.org/10.1557/s0883769400055809.
Повний текст джерелаAlameddine, Abdallah K., Frederick Conlin, and Brian Binnall. "An Introduction to the Mathematical Modeling in the Study of Cancer Systems Biology." Cancer Informatics 17 (January 2018): 117693511879975. http://dx.doi.org/10.1177/1176935118799754.
Повний текст джерелаPrawesh, Shankar, and Balaji Padmanabhan. "A complex systems perspective of news recommender systems: Guiding emergent outcomes with feedback models." PLOS ONE 16, no. 1 (January 7, 2021): e0245096. http://dx.doi.org/10.1371/journal.pone.0245096.
Повний текст джерелаYletyinen, Johanna, Örjan Bodin, Benjamin Weigel, Marie C. Nordström, Erik Bonsdorff, and Thorsten Blenckner. "Regime shifts in marine communities: a complex systems perspective on food web dynamics." Proceedings of the Royal Society B: Biological Sciences 283, no. 1825 (February 24, 2016): 20152569. http://dx.doi.org/10.1098/rspb.2015.2569.
Повний текст джерелаMarquet, Franck, Filip Stojceski, Gianvito Grasso, Viorica Patrulea, Andrea Danani, and Gerrit Borchard. "Characterization of the Interaction of Polymeric Micelles with siRNA: A Combined Experimental and Molecular Dynamics Study." Polymers 14, no. 20 (October 19, 2022): 4409. http://dx.doi.org/10.3390/polym14204409.
Повний текст джерелаNaudi-Fabra, Samuel, Martin Blackledge, and Sigrid Milles. "Synergies of Single Molecule Fluorescence and NMR for the Study of Intrinsically Disordered Proteins." Biomolecules 12, no. 1 (December 24, 2021): 27. http://dx.doi.org/10.3390/biom12010027.
Повний текст джерелаKarch, Rudolf, Claudia Stocsits, Nevena Ilieva, and Wolfgang Schreiner. "Intramolecular Domain Movements of Free and Bound pMHC and TCR Proteins: A Molecular Dynamics Simulation Study." Cells 8, no. 7 (July 13, 2019): 720. http://dx.doi.org/10.3390/cells8070720.
Повний текст джерелаTolstova, Anna P., Alexander A. Makarov та Alexei A. Adzhubei. "Zinc Induced Aβ16 Aggregation Modeled by Molecular Dynamics". International Journal of Molecular Sciences 22, № 22 (10 листопада 2021): 12161. http://dx.doi.org/10.3390/ijms222212161.
Повний текст джерелаPaciolla, Mariarita, Daniel J. Arismendi-Arrieta, and Angel J. Moreno. "Coarsening Kinetics of Complex Macromolecular Architectures in Bad Solvent." Polymers 12, no. 3 (March 2, 2020): 531. http://dx.doi.org/10.3390/polym12030531.
Повний текст джерелаContreras-Riquelme, Sebastián, Jose-Antonio Garate, Tomas Perez-Acle, and Alberto J. M. Martin. "RIP-MD: a tool to study residue interaction networks in protein molecular dynamics." PeerJ 6 (December 7, 2018): e5998. http://dx.doi.org/10.7717/peerj.5998.
Повний текст джерелаKolesnikov, Andrey V. "Space and Molecular Human in the Process of Social Systems Digital Transformation in Belarus and Russia." AEROSPACE SPHERE JOURNAL, no. 2 (June 26, 2021): 84–97. http://dx.doi.org/10.30981/2587-7992-2020-107-2-84-97.
Повний текст джерелаBanerjee, Sourav, Zoltan Jurek, Malik Muhammad Abdullah, and Robin Santra. "Chemical effects on the dynamics of organic molecules irradiated with high intensity x rays." Structural Dynamics 9, no. 5 (September 2022): 054101. http://dx.doi.org/10.1063/4.0000166.
Повний текст джерелаGross, Thilo, Korinna T. Allhoff, Bernd Blasius, Ulrich Brose, Barbara Drossel, Ashkaan K. Fahimipour, Christian Guill, Justin D. Yeakel, and Fanqi Zeng. "Modern models of trophic meta-communities." Philosophical Transactions of the Royal Society B: Biological Sciences 375, no. 1814 (November 2, 2020): 20190455. http://dx.doi.org/10.1098/rstb.2019.0455.
Повний текст джерелаIschenko, A. A., Y. I. Tarasov, and L. Schäfer. "STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE." Fine Chemical Technologies 12, no. 2 (April 28, 2017): 5–33. http://dx.doi.org/10.32362/2410-6593-2017-12-2-5-33.
Повний текст джерелаRAFIKOV, MARAT, JOSÉ MANOEL BALTHAZAR, and HUBERTUS F. VON BREMEN. "MANAGEMENT OF COMPLEX SYSTEMS: MODELING THE BIOLOGICAL PEST CONTROL." Biophysical Reviews and Letters 03, no. 01n02 (April 2008): 241–56. http://dx.doi.org/10.1142/s1793048008000721.
Повний текст джерелаLi, Conghui, Xiaolu Han, Xiaoxuan Hong, Xianfu Li, Hui Zhang, Zengming Wang, and Aiping Zheng. "Study on the Complexation and Release Mechanism of Methylphenidate Hydrochloride Ion Exchange Resin Complex." Polymers 13, no. 24 (December 15, 2021): 4394. http://dx.doi.org/10.3390/polym13244394.
Повний текст джерелаPoghosyan, Armen, Hrachya Astsatryan, Wahi Narsisian, and 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, no. 5 (December 20, 2017): 68–80. http://dx.doi.org/10.1515/cait-2017-0056.
Повний текст джерелаLiu, Gang, and Yi Ping Yao. "Large Scale Molecular Dynamics Simulation of Femtosecond Laser Ablation of Silicon Using Sensing-VISICOM." Advanced Materials Research 418-420 (December 2011): 1330–37. http://dx.doi.org/10.4028/www.scientific.net/amr.418-420.1330.
Повний текст джерелаBruner, 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.
Повний текст джерелаEscalona, Yerko, Drazen Petrov, Edgar Galicia-Andrés, and Chris Oostenbrink. "Exploring the Macroscopic Properties of Humic Substances Using Modeling and Molecular Simulations." Agronomy 13, no. 4 (April 1, 2023): 1044. http://dx.doi.org/10.3390/agronomy13041044.
Повний текст джерелаZhang, Shitao, Shuai Lv, Xueqi Fu, Lu Han, Weiwei Han, and Wannan Li. "Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates." Molecules 26, no. 21 (October 27, 2021): 6492. http://dx.doi.org/10.3390/molecules26216492.
Повний текст джерелаSefidkar, Narmin, Samira Fathizadeh, Fatemeh Nemati та Constantinos Simserides. "Energy Transport along α-Helix Protein Chains: External Drives and Multifractal Analysis". Materials 15, № 8 (10 квітня 2022): 2779. http://dx.doi.org/10.3390/ma15082779.
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