المؤلفون: Laeremans, Wout, Segers, Midas, Voorspoels, Aderik, Carlon, Enrico, Hooyberghs, Jef

المصدر: Laeremans , W , Segers , M , Voorspoels , A , Carlon , E & Hooyberghs , J 2024 ' Insights into elastic properties of coarse-grained DNA models : q-stiffness of cgDNA vs. cgDNA+ ' arXiv.org , pp. 1-9 . https://doi.org/10.48550/arXiv.2401.05208

مصطلحات موضوعية: DNA, Coarse-grained simulations, Biophysics, Statistical physics

وصف الملف: application/pdf

Relation: https://research.tue.nl/en/publications/934a7eea-8142-4244-ba4e-c987849569fb

الاتاحة: https://research.tue.nl/en/publications/934a7eea-8142-4244-ba4e-c987849569fb
https://doi.org/10.48550/arXiv.2401.05208
https://pure.tue.nl/ws/files/320539425/2401.05208v1.pdf

المؤلفون: Riedlová, Kamila

مصطلحات موضوعية: molecular dynamics simulations, coarse grained simulations, tear film, tear film lipid layer, latanoprost, benzalkonium chlorides (BAKs), surfactant protein G (SP-G), colicin U, simulace molekulové dynamiky, coarse grained simulace, slzný film, lipidová vrstva slzného filmu, benzalkonium chloridy (BAKs), surfaktantový protein G (SP-G), kolicin U

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.11956/196196; 278461

الاتاحة: https://hdl.handle.net/20.500.11956/196196

المؤلفون: Brito, Mariano, E, Mikhtaniuk, Sofia, E, Neelov, Igor, M, Borisov, Oleg, V., Holm, Christian

المساهمون: University of Stuttgart, National Research University of Information Technologies, Mechanics and Optics St. Petersburg (ITMO), Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 1661-6596.

مصطلحات موضوعية: micelles block copolymers polyelectrolytes self-assembly coarse-grained simulations dendrimers, micelles, block copolymers, polyelectrolytes, self-assembly, coarse-grained simulations, dendrimers, [CHIM]Chemical Sciences

Relation: hal-04306922; https://univ-pau.hal.science/hal-04306922; https://univ-pau.hal.science/hal-04306922/document; https://univ-pau.hal.science/hal-04306922/file/ijms-24-02763.pdf

الاتاحة: https://univ-pau.hal.science/hal-04306922
https://univ-pau.hal.science/hal-04306922/document
https://univ-pau.hal.science/hal-04306922/file/ijms-24-02763.pdf
https://doi.org/10.3390/ijms24032763

المؤلفون: Parrow, Albin, Larsson, Per, Augustijns, Patrick, Bergström, Christel A. S., 1973

المصدر: Molecular Pharmaceutics. 17(10):3837-3844

مصطلحات موضوعية: MD simulations, coarse-grained simulations, drug solubility, intestinal fluids, micelles

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-421504
https://doi.org/10.1021/acs.molpharmaceut.0c00588
https://uu.diva-portal.org/smash/get/diva2:1474690/FULLTEXT01.pdf

المؤلفون: Arora, Mansi, Yennamalli, Ragothaman M, Sen, Taner Z

المصدر: BioEnergy Research. 11(4)

مصطلحات موضوعية: Biological Sciences, Industrial Biotechnology, Underpinning research, 1.1 Normal biological development and functioning, Generic health relevance, Cellulases, Molecular dynamics simulations, Multiscale modeling, Coarse-grained simulations, All-atom simulations, Biofuels, Industrial biotechnology

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2tz5j8r8

المؤلفون: Suk Kyu Ko, Carolin Berner, Alina Kulakova, Markus Schneider, Iris Antes, Gerhard Winter, Pernille Harris, Günther H.J. Peters

المصدر: Computational and Structural Biotechnology Journal, Vol 20, Iss , Pp 1439-1455 (2022)

مصطلحات موضوعية: Aggregation, Granulocyte stimulating factor, Molecular dynamics, Coarse grained simulations, Small angle X-ray scattering, Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037022000873; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/e6a3a635f7cf498b8c71c0cef29d35ef

المؤلفون: Hardt, Michael, Busse, Franziska, Raschke, Simon, Honnigfort, Christian, Carrascosa-Tejedor, Javier, Wenk, Paul, Gutfreund, Philipp, Campbell, Richard A., Heuer, Andreas, Braunschweig, Björn

المصدر: Hardt , M , Busse , F , Raschke , S , Honnigfort , C , Carrascosa-Tejedor , J , Wenk , P , Gutfreund , P , Campbell , R A , Heuer , A & Braunschweig , B 2023 , ' Photo-Responsive Control of Adsorption and Structure Formation at the Air–Water Interface with Arylazopyrazoles ' , Langmuir , vol. 39 , no. 16 , pp. 5861-5871 . https://doi.org/10.1021/acs.langmuir.3c00294

مصطلحات موضوعية: Sum-Frequency Generation, Photoresponsive Materials, Neutron Reflectometry, Ultra Coarse-Grained Simulations, Fluid Interfaces, Photoisomerization

وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document

Relation: https://research.manchester.ac.uk/en/publications/fafd7209-dffe-4815-832f-703d8f8d540b

الاتاحة: https://research.manchester.ac.uk/en/publications/fafd7209-dffe-4815-832f-703d8f8d540b
https://doi.org/10.1021/acs.langmuir.3c00294
https://pure.manchester.ac.uk/ws/files/262385214/Hardt_etal_AAP_Surfactants_R2.docx

المؤلفون: Suk Kyu Ko, Gabriella Björkengren, Carolin Berner, Gerhard Winter, Pernille Harris, Günther H. J. Peters

المصدر: Pharmaceutics; Volume 15; Issue 7; Pages: 1854

مصطلحات موضوعية: freeze drying, molecular dynamics, coarse-grained simulations, Reteplase, formulation development, protein stability, arginine

وصف الملف: application/pdf

Relation: Pharmaceutical Technology, Manufacturing and Devices; https://dx.doi.org/10.3390/pharmaceutics15071854

الاتاحة: https://doi.org/10.3390/pharmaceutics15071854

المؤلفون: Hirschmann, Frank, Lopez, Hender, Roosen-Runge, Felix, Seydel, Tilo, Schreiber, Frank, Oettel, Martin

المساهمون: DFG (Germany) and the ANR (France) through the joint DFG-ANR project “ImmunoglobulinCrowding” (Grant Nos. DFG SCHR 700/28-1, ANR-16-CE92-0009)

المصدر: Articles

مصطلحات موضوعية: Computer simulation, Probability theory, Rotational diffusion, Experimental serum, Amino acid, Coarse-grain model, Coarse-grained simulations, Immune system, Globular protein, Brownian dynamics, Chemistry

وصف الملف: application/pdf

Relation: https://arrow.tudublin.ie/scschphyart/192; https://arrow.tudublin.ie/context/scschphyart/article/1206/viewcontent/Effects_of_flexibility_in_coarse_grained_models_for_bovine_serum_albumin.pdf

الاتاحة: https://arrow.tudublin.ie/scschphyart/192
https://doi.org/10.1063/5.0132493
https://arrow.tudublin.ie/context/scschphyart/article/1206/viewcontent/Effects_of_flexibility_in_coarse_grained_models_for_bovine_serum_albumin.pdf

المؤلفون: Javan Nikkhah, Sousa, Sammalkorpi, Maria

المساهمون: Department of Chemistry and Materials Science, Department of Bioproducts and Biosystems, Soft Materials Modelling, Center of Excellence in Life-Inspired Hybrid Materials, LIBER, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: Coarse-grained simulations, Dissipative particle dynamics, Multicore aggregate, Polymeric aggregate, Single core-double shell aggregate, Structural transition

وصف الملف: 231-241; application/pdf

Relation: Journal of Colloid and Interface Science; Volume 635; Javan Nikkhah, S & Sammalkorpi, M 2023, ' Single core and multicore aggregates from a polymer mixture: A dissipative particle dynamics study ', Journal of Colloid and Interface Science, vol. 635, pp. 231-241 . https://doi.org/10.1016/j.jcis.2022.12.119; PURE UUID: a9382e62-61a2-4048-ac61-fd9098b73c1c; PURE ITEMURL: https://research.aalto.fi/en/publications/a9382e62-61a2-4048-ac61-fd9098b73c1c; PURE LINK: http://www.scopus.com/inward/record.url?scp=85145264684&partnerID=8YFLogxK; PURE FILEURL: https://research.aalto.fi/files/97675345/CHEM_Javan_Nikkhah_and_Sammalkorpi_Single_Core_2023_J_Colloid_Interface_Sci.pdf; https://aaltodoc.aalto.fi/handle/123456789/118933; URN:NBN:fi:aalto-202301181289

الاتاحة: https://aaltodoc.aalto.fi/handle/123456789/118933
https://doi.org/10.1016/j.jcis.2022.12.119

المؤلفون: Zhuang, Y., Noviello, C. M., Hibbs, R. E., Howard, R. J., Lindahl, Erik, 1972

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 119(43)

مصطلحات موضوعية: cholesterol, coarse-grained simulations, computational electrophysiology, ligand-gated ion channel, nicotinic acetylcholine receptor, Allosteric Regulation, alpha7 Nicotinic Acetylcholine Receptor, Humans, Isoxazoles, Ligand-Gated Ion Channels, Ligands, Lipids, Phenylurea Compounds, Receptors, Nicotinic, 1 (5 chloro 2, 4 dimethoxyphenyl) 3 (5 methyl 3 isoxazolyl)urea, bungarotoxin receptor, calcium ion, ligand gated ion channel, 1-(5-chloro-2, 4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea, carbanilamide derivative, isoxazole derivative, ligand, lipid, nicotinic receptor, allosterism, Article, binding affinity, electrophysiology, human, ion transport, ligand binding, lipophilicity, mathematical computing, membrane potential, molecular dynamics, molecular interaction, phase transition, protein structure, receptor down regulation, structure analysis, metabolism

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-328810
https://doi.org/10.1073/pnas.2208081119

المؤلفون: Carlos Navarro-Paya, Maximo Sanz-Hernandez, Alfonso De Simone

المصدر: Frontiers in Molecular Biosciences, Vol 9 (2022)

مصطلحات موضوعية: α-synuclein, intrinsically disordered proteins, vesicle clustering, double-anchor mechanism, membrane binding, coarse-grained simulations, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2022.857217/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/6d0f6c4101384d44935b3dbcd543af2b

المؤلفون: Javor K. Novev, Amin Doostmohammadi, Andreas Zöttl, Julia M. Yeomans

المصدر: Current Research in Food Science, Vol 3, Iss , Pp 122-133 (2020)

مصطلحات موضوعية: Digestion, Multiparticle collision dynamics, Aggregate break-up, Polymer dynamics, Coarse-grained simulations, Polymers under shear, Nutrition. Foods and food supply, TX341-641, Food processing and manufacture, TP368-456

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2665927120300137; https://doaj.org/toc/2665-9271

URL الوصول: https://doaj.org/article/f9f0e4abc79840ccbfff5aa2e8a50ea3

المؤلفون: Junhui Peng, Chuang Yuan, Xinfan Hua, Zhiyong Zhang

المصدر: Epigenetics & Chromatin, Vol 13, Iss 1, Pp 1-14 (2020)

مصطلحات موضوعية: Histone variant H2A.B, Multiscale modeling, Molecular dynamics, Coarse-grained simulations, Genetics, QH426-470

وصف الملف: electronic resource

Relation: http://link.springer.com/article/10.1186/s13072-020-00351-x; https://doaj.org/toc/1756-8935

URL الوصول: https://doaj.org/article/d7335c69a829448bbf9755c313d76ca1

المؤلفون: Christin Fuks, Sebastian Falkner, Nadine Schwierz, Martin Hengesbach

المصدر: Frontiers in Molecular Biosciences, Vol 9 (2022)

مصطلحات موضوعية: single-molecule FRET, coarse-grained simulations, riboswitch, guanidine-II riboswitch, RNA dynamics, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2022.826505/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/8a5a7a508f0a45d28f4af686e1bb1066

المؤلفون: Sousa Javan Nikkah, Maria Sammalkorpi

مصطلحات موضوعية: Chemical sciences, Physical sciences, multicore aggregate, single core-double shell aggregate, polymeric aggregate, structural transition, coarse-grained simulations, dissipative particle dynamics

Relation: https://figshare.com/articles/journal_contribution/Single_core_and_multicore_aggregates_from_a_polymer_mixture_A_dissipative_particle_dynamics_study/23925351

الاتاحة: https://doi.org/10.34961/researchrepository-ul.23925351.v1
https://figshare.com/articles/journal_contribution/Single_core_and_multicore_aggregates_from_a_polymer_mixture_A_dissipative_particle_dynamics_study/23925351

المؤلفون: Roca, Jorjethe, Hori, Naoto, Baral, Saroj, Velmurugu, Yogambigai, Narayanan, Ranjani, Narayanan, Prasanth, Thirumalai, D., Ansari, Anjum

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2018 Jul . 115(31), E7313-E7322.

URL الوصول: https://www.jstor.org/stable/26529387

المؤلفون: Lorenzo Iannetti, Sonia Cambiaso, Fabio Rasera, Alberto Giacomello, Giulia Rossi, Davide Bochicchio, Antonio Tinti

المساهمون: Iannetti, Lorenzo, Cambiaso, Sonia, Rasera, Fabio, Giacomello, Alberto, Rossi, Giulia, Bochicchio, Davide, Tinti, Antonio

مصطلحات موضوعية: Molecular dynamics software, Phase transitions, Materials treatment, Interfacial properties, Interfacial tension, Liquid-vapor interface, Coarse-grained simulations, Statistical mechanics

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/39189655; info:eu-repo/semantics/altIdentifier/wos/WOS:001299480200001; volume:161; issue:8; firstpage:084707-1; lastpage:084707-13; numberofpages:1; journal:JOURNAL OF CHEMICAL PHYSICS ONLINE; https://hdl.handle.net/11567/1223762

الاتاحة: https://hdl.handle.net/11567/1223762
https://doi.org/10.1063/5.0221199

المؤلفون: Amy O. Stevens, Yi He

المصدر: Frontiers in Molecular Biosciences, Vol 7 (2021)

مصطلحات موضوعية: PICK1, inter-domain dynamics, coarse-grained simulations, key residues, physical forces, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2020.616135/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/aa14ecf36b774bc480c88513db1f47e3

المؤلفون: Vainikka, Petteri, Thallmair, Sebastian, Souza, Paulo Cesar Telles, Marrink, Siewert J.

المصدر: Vainikka , P , Thallmair , S , Souza , P C T & Marrink , S J 2021 , ' Martini 3 Coarse-Grained Model for Type III Deep Eutectic Solvents : Thermodynamic, Structural, and Extraction Properties ' , ACS Sustainable Chemistry and Engineering , vol. 9 , no. 51 , pp. 17338-17350 . https://doi.org/10.1021/acssuschemeng.1c06521

مصطلحات موضوعية: Coarse-grained simulations, Deep eutectic solvents, Extraction properties, Martini 3, Molecular dynamics

وصف الملف: application/pdf

الاتاحة: https://hdl.handle.net/11370/a79c6ec6-b53c-48f3-8d21-11ec46cc477d
https://research.rug.nl/en/publications/a79c6ec6-b53c-48f3-8d21-11ec46cc477d
https://doi.org/10.1021/acssuschemeng.1c06521
https://pure.rug.nl/ws/files/198932156/acssuschemeng.1c06521.pdf
http://www.scopus.com/inward/record.url?scp=85121972418&partnerID=8YFLogxK