المؤلفون: Badhe, Yogesh, Kumar, Dharmendr, Gupta, Rakesh^{Aff1, IDs0089402405952x_cor3}, Jain, Vinay, Rai, Beena

المصدر: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 30(6)

المؤلفون: Chen, Grace Tang, Sarker, Pranab^{Aff2, IDs1105102305761y_cor2}, Qiao, Baofu^{Aff3, IDs1105102305761y_cor3}, Wei, Tao^{Aff2, IDs1105102305761y_cor4}

المصدر: Journal of Nanoparticle Research: An Interdisciplinary Forum for Nanoscale Science and Technology. 25(6)

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

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

المصدر: Pharmaceutics, Vol 15, Iss 7, p 1854 (2023)

مصطلحات موضوعية: freeze drying, molecular dynamics, coarse-grained simulations, Reteplase, formulation development, protein stability, Pharmacy and materia medica, RS1-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1999-4923/15/7/1854; https://doaj.org/toc/1999-4923

URL الوصول: https://doaj.org/article/91a870fa54c84697a147d03b75a8e9cc

المؤلفون: Wu, Xiawa^{Aff4, Aff5}, El-Awady, Jaafar A.^Aff4

المساهمون: Ghosh, Somnath, editor^Aff1, Woodward, Christopher, editor^Aff2, Przybyla, Craig, editor^Aff3

المصدر: Integrated Computational Materials Engineering (ICME) : Advancing Computational and Experimental Methods. :267-296

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