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Academic Journal

Influence of the internal degrees of freedom of coronene molecules on the nonlinear dynamics of a columnar chain.

  • Authors : Savin AV; Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow 119991, Russia.; Plekhanov Russian University of Economics, Moscow 117997, Russia.

Subjects: Nonlinear Dynamics* ; Polycyclic Compounds*; Vibration

  • Source: Physical review. E [Phys Rev E] 2023 May; Vol. 107 (5-1), pp. 054216.Publisher: American Physical Society Country of Publication: United States NLM ID: 101676019 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinase.

  • Authors : Mahapatra S; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, Madhya Pradesh, India.; Jonniya NA

Subjects: Receptor, Fibroblast Growth Factor, Type 1*/Receptor, Fibroblast Growth Factor, Type 1*/Receptor, Fibroblast Growth Factor, Type 1*/metabolism ; Molecular Dynamics Simulation*; Phosphorylation

  • Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Apr; Vol. 42 (6), pp. 2929-2941. Date of Electronic Publication: 2023 May 09.Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

State-dependent dynamics of extramembrane domains in the β 2 -adrenergic receptor.

  • Authors : Nikte SV; Physical and Materials Chemistry Division, National Chemical Laboratory, Pune, India.; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, India.

Subjects: Molecular Dynamics Simulation* ; Receptors, G-Protein-Coupled*/Receptors, G-Protein-Coupled*/Receptors, G-Protein-Coupled*/metabolism; Ligands

  • Source: Proteins [Proteins] 2024 Mar; Vol. 92 (3), pp. 317-328. Date of Electronic Publication: 2023 Oct 20.Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8700181 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey.

  • Authors : Sk MF; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Khandwa Road, Simrol, MP, 453552, India.; Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology, NIH Resource for Macromolecular Modeling and Visualization, University of Illinois Urbana-Champaign, Urbana, IL, 61801, USA.

Subjects: Janus Kinase 2* ; Molecular Dynamics Simulation*; Catalytic Domain

  • Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2024 Feb 07; Vol. 38 (1), pp. 8. Date of Electronic Publication: 2024 Feb 07.Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951

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Academic Journal

Intrinsic nonlinear dynamics drive single-species systems.

  • Authors : Werner J; Department of General Ecology, Institute of Zoology, University of Cologne, D-50674 Cologne, Germany.; Pietsch T

Subjects: Nonlinear Dynamics* ; Eukaryota*; Humans

  • Source: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Nov; Vol. 119 (44), pp. e2209601119. Date of Electronic Publication: Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Studying the ssDNA loaded adeno-associated virus aggregation using coarse-grained molecular dynamics simulations.

  • Authors : Duran T; Department of Pharmaceutical Sciences, School of Pharmacy, University of Connecticut, Storrs, CT 06269, USA.; Naik S

Subjects: Molecular Dynamics Simulation* ; Dependovirus*; Protein Subunits

  • Source: International journal of pharmaceutics [Int J Pharm] 2024 Apr 25; Vol. 655, pp. 123985. Date of Electronic Publication: 2024 Mar 12.Publisher: Elsevier/North-Holland Biomedical Press Country of Publication: Netherlands NLM ID: 7804127 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Interaction mechanism and binding mode of phycocyanin to lysozyme: Molecular docking and molecular dynamics simulation.

  • Authors : Bai Y; School of Food Science and Technology, Dalian Polytechnic University, National Engineering Research Center of Seafood, Liaoning Provincial Aquatic Products Deep Processing Technology Research Center, Dalian 116034, PR China.; Wang Y

Subjects: Molecular Dynamics Simulation* ; Phycocyanin*/Phycocyanin*/Phycocyanin*/chemistry; Molecular Docking Simulation

  • Source: Food chemistry [Food Chem] 2024 Apr 16; Vol. 438, pp. 138001. Date of Electronic Publication: 2023 Nov 15.Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Discovery of a novel SHP2 allosteric inhibitor using virtual screening, FMO calculation, and molecular dynamic simulation.

  • Authors : Yuan Z; Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy, East China University of Science & Technology, Shanghai, China.; Zhang M

Subjects: Molecular Dynamics Simulation* ; Phosphatidylinositol 3-Kinases* ; Acetamides*

  • Source: Journal of molecular modeling [J Mol Model] 2024 Apr 13; Vol. 30 (5), pp. 131. Date of Electronic Publication: 2024 Apr 13.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023

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Academic Journal

Comparative molecular dynamics simulations provided insights into the mechanisms of cold-adaption of alginate lyases from the PL7 family.

  • Authors : Bian F; Institute of Crop Germplasm Resources, Shandong Academy of Agricultural Sciences, Jinan, 250100, China. .; Liang XY

Subjects: Molecular Dynamics Simulation* ; Alginates*; Humans

  • Source: Extremophiles : life under extreme conditions [Extremophiles] 2024 Apr 10; Vol. 28 (2), pp. 24. Date of Electronic Publication: 2024 Apr 10.Publisher: Springer Country of Publication: Germany NLM ID: 9706854 Publication Model: Electronic Cited Medium: Internet ISSN: 1433-4909

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Academic Journal

Network pharmacology combines machine learning, molecular simulation dynamics and experimental validation to explore the mechanism of acetylbinankadsurin A in the treatment of liver fibrosis.

  • Authors : Peng W; Science and Technology Innovation Center of Hunan University of Traditional Chinese Medicine, Innovation Base of Hunan State Key Laboratory of Innovative Medicine and Traditional Chinese Medicine, Changsha, 410208, China.; Yang Y

Subjects: Molecular Dynamics Simulation* ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/pharmacology ; Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/Drugs, Chinese Herbal*/therapeutic use

  • Source: Journal of ethnopharmacology [J Ethnopharmacol] 2024 Apr 06; Vol. 323, pp. 117682. Date of Electronic Publication: 2023 Dec 31.Publisher: Elsevier Sequoia Country of Publication: Ireland NLM ID: 7903310 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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  • 1-10 of  1,075,911 results for ""DYNAMICS""