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Tytuł :
A nonlinear population dynamics model of patient diagnosis and treatment involving in two level medical institutions and its qualitative analysis of positive singularity.
Autorzy :
Zhao X; Faculty of Management and Economics, Kunming University of Science and Technology, Yunnan, Kunming 650093, China.
Jiang L; First People's Hospital of Yunnan Province, Yunnan, Kunming 650032, China.
Zhao K; Department of Mathematics, Kunming University of Science and Technology, Yunnan, Kunming 650500, China.
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Źródło :
Mathematical biosciences and engineering : MBE [Math Biosci Eng] 2022 Jan 07; Vol. 19 (3), pp. 2575-2591.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Nonlinear Dynamics*
Computer Simulation ; Humans ; Population Dynamics
Czasopismo naukowe
Tytuł :
Insights of conformational dynamics on catalytic activity in the computational stability design of Bacillus subtilis LipA.
Autorzy :
Dong F; Ministry of Education Key Laboratory of Carbohydrate Chemistry and Biotechnology, School of Biotechnology, Jiangnan University, 214122, Wuxi, China.
Zhang M; Ministry of Education Key Laboratory of Carbohydrate Chemistry and Biotechnology, School of Biotechnology, Jiangnan University, 214122, Wuxi, China.
Ma R; Ministry of Education Key Laboratory of Carbohydrate Chemistry and Biotechnology, School of Biotechnology, Jiangnan University, 214122, Wuxi, China.
Lu C; Ministry of Education Key Laboratory of Carbohydrate Chemistry and Biotechnology, School of Biotechnology, Jiangnan University, 214122, Wuxi, China. Electronic address: .
Xu F; Ministry of Education Key Laboratory of Carbohydrate Chemistry and Biotechnology, School of Biotechnology, Jiangnan University, 214122, Wuxi, China. Electronic address: .
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Źródło :
Archives of biochemistry and biophysics [Arch Biochem Biophys] 2022 Jun 15; Vol. 722, pp. 109196. Date of Electronic Publication: 2022 Mar 23.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Bacillus subtilis*/genetics
Molecular Dynamics Simulation*
Catalytic Domain ; Enzyme Stability ; Mutation ; Protein Conformation ; Protein Engineering
Czasopismo naukowe
Tytuł :
Motional clustering in supra-τ c conformational exchange influences NOE cross-relaxation rate.
Autorzy :
Kolloff C; Biozentrum, Universität Basel, Spitalstrasse 41, Basel 4056, Switzerland; Department of Computer Science and Engineering, Chalmers University of Technology, Rännvägen 6, Göteborg 412 58, Sweden. Electronic address: .
Mazur A; Biozentrum, Universität Basel, Spitalstrasse 41, Basel 4056, Switzerland. Electronic address: .
Marzinek JK; Bioinformatics Institute (A∗STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671, Singapore. Electronic address: .
Bond PJ; Bioinformatics Institute (A∗STAR), 30 Biopolis Street, #07-01 Matrix, Singapore 138671, Singapore; National University of Singapore, Department of Biological Sciences, 14 Science Drive 4, Singapore 117543, Singapore. Electronic address: .
Olsson S; Department of Computer Science and Engineering, Chalmers University of Technology, Rännvägen 6, Göteborg 412 58, Sweden. Electronic address: .
Hiller S; Biozentrum, Universität Basel, Spitalstrasse 41, Basel 4056, Switzerland. Electronic address: .
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Źródło :
Journal of magnetic resonance (San Diego, Calif. : 1997) [J Magn Reson] 2022 May; Vol. 338, pp. 107196. Date of Electronic Publication: 2022 Mar 23.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Dynamics Simulation*
Proteins*/chemistry
Cluster Analysis ; Magnetic Resonance Spectroscopy/methods ; Motion ; Nuclear Magnetic Resonance, Biomolecular
Czasopismo naukowe
Tytuł :
Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics.
Autorzy :
Ananth N; Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York, USA; email: .
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Źródło :
Annual review of physical chemistry [Annu Rev Phys Chem] 2022 Apr 20; Vol. 73, pp. 299-322. Date of Electronic Publication: 2022 Jan 26.
Typ publikacji :
Journal Article; Review; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms :
Molecular Dynamics Simulation*
Polymers*
Czasopismo naukowe
Tytuł :
Protein dynamics developments for the large scale and cryoEM: case study of ProDy 2.0.
Autorzy :
Krieger JM; Biocomputing Unit, Centro Nacional de Biotecnología (CSIC), Calle Darwin 3, 28049 Madrid, Spain.
Sorzano COS; Biocomputing Unit, Centro Nacional de Biotecnología (CSIC), Calle Darwin 3, 28049 Madrid, Spain.
Carazo JM; Biocomputing Unit, Centro Nacional de Biotecnología (CSIC), Calle Darwin 3, 28049 Madrid, Spain.
Bahar I; Department of Computational and Systems Biology, School of Medicine, University of Pittsburgh, 800 Murdoch Building, 3420 Forbes Avenue, Pittsburgh, PA 15213, USA.
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Źródło :
Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2022 Apr 01; Vol. 78 (Pt 4), pp. 399-409. Date of Electronic Publication: 2022 Mar 16.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Molecular Dynamics Simulation*
Cryoelectron Microscopy/methods ; Principal Component Analysis
Czasopismo naukowe
Tytuł :
Cardioprotective effect of ethanol extracts of Sugemule-3 decoction on isoproterenol-induced heart failure in Wistar rats through regulation of mitochondrial dynamics.
Autorzy :
Zhen D; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
Na RS; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
Wang Y; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
Bai X; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: bx_.
Fu DN; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: fu_dan_.
Wei CX; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
Liu MJ; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
Yu LJ; Institute of Pharmaceutical Chemistry and Pharmacology, Inner Mongolia University for Nationalities, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China; Inner Mongolia Key Laboratory of Mongolian Medicine Pharmacology for Cardio-Cerebral Vascular System, Tongliao, 028000, Inner Mongolia Autonomous Region, PR China. Electronic address: .
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Źródło :
Journal of ethnopharmacology [J Ethnopharmacol] 2022 Jun 28; Vol. 292, pp. 114669. Date of Electronic Publication: 2021 Sep 29.
Typ publikacji :
Journal Article
MeSH Terms :
Heart Failure*/chemically induced
Heart Failure*/drug therapy
Heart Failure*/prevention & control
Mitochondrial Dynamics*
Animals ; Ethanol/chemistry ; Fibrosis ; Isoproterenol/toxicity ; Male ; Myocardium/pathology ; Rats ; Rats, Wistar ; Tandem Mass Spectrometry
Czasopismo naukowe
Tytuł :
Promoting mitochondrial fusion in doxorubicin-induced cardiotoxicity: a novel therapeutic target for cardioprotection.
Autorzy :
Maneechote C; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.
Khuanjing T; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Cardiac Electrophysiology Unit, Department of Physiology, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.
Ongnok B; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Cardiac Electrophysiology Unit, Department of Physiology, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.
Arinno A; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Cardiac Electrophysiology Unit, Department of Physiology, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.
Prathumsap N; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Cardiac Electrophysiology Unit, Department of Physiology, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.
Chunchai T; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.
Arunsak B; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.
Nawara W; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.
Chattipakorn SC; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Department of Oral Biology and Diagnostic Sciences, Faculty of Dentistry, Chiang Mai University, Chiang Mai 50200, Thailand.
Chattipakorn N; Cardiac Electrophysiology Research and Training Center, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.; Center of Excellence in Cardiac Electrophysiology Research, Chiang Mai University, Chiang Mai 50200, Thailand.; Cardiac Electrophysiology Unit, Department of Physiology, Faculty of Medicine, Chiang Mai University, Chiang Mai 50200, Thailand.
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Źródło :
Clinical science (London, England : 1979) [Clin Sci (Lond)] 2022 Jun 17; Vol. 136 (11), pp. 841-860.
Typ publikacji :
Journal Article
MeSH Terms :
Cardiotoxicity*/etiology
Mitochondrial Dynamics*
Animals ; Antibiotics, Antineoplastic/toxicity ; Apoptosis ; Dimethyl Sulfoxide/metabolism ; Dimethyl Sulfoxide/pharmacology ; Doxorubicin/pharmacology ; Inflammation/metabolism ; Male ; Myocytes, Cardiac/metabolism ; Oxidative Stress ; Rats ; Rats, Wistar
Czasopismo naukowe
Tytuł :
TUPÃ: Electric field analyses for molecular simulations.
Autorzy :
Polêto MD; Department of Biochemistry, Virginia Tech, Blacksburg, Virginia, USA.; Center for Drug Discovery, Virginia Tech, Blacksburg, Virginia, USA.
Lemkul JA; Department of Biochemistry, Virginia Tech, Blacksburg, Virginia, USA.; Center for Drug Discovery, Virginia Tech, Blacksburg, Virginia, USA.
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Źródło :
Journal of computational chemistry [J Comput Chem] 2022 Jun 15; Vol. 43 (16), pp. 1113-1119. Date of Electronic Publication: 2022 Apr 22.
Typ publikacji :
Journal Article
MeSH Terms :
Electricity*
Molecular Dynamics Simulation*
Kinetics
Czasopismo naukowe
Tytuł :
Structural view of insulin adsorption on the multiple sizes of Cu nanoparticles; molecular dynamics simulation study.
Autorzy :
Jomhori Baloch M; Razi Vaccine and Serum Research Institute, Agriculture Research, Education and Extension Organization (AREEO), Mashhad, Iran.
Mosaddeghi H; Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111, Iran. Electronic address: .
Jamshidian-Mojaver M; Razi Vaccine and Serum Research Institute, Agriculture Research, Education and Extension Organization (AREEO), Mashhad, Iran.
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Źródło :
Archives of biochemistry and biophysics [Arch Biochem Biophys] 2022 Jun 15; Vol. 722, pp. 109219. Date of Electronic Publication: 2022 Apr 12.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Dynamics Simulation*
Nanoparticles*/chemistry
Adsorption ; Humans ; Insulin/chemistry ; Protein Structure, Secondary
Czasopismo naukowe
Tytuł :
Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The "Clusters-in-a-Liquid" Model and ab Initio Molecular Dynamics Simulations.
Autorzy :
Yang Y; Chemistry Department, University of Alberta, Edmonton, Alberta, T6G 2G2, Canada.
Cheramy J; Chemistry Department, University of Alberta, Edmonton, Alberta, T6G 2G2, Canada.
Brehm M; Institut für Chemie, Martin-Luther-Universität Halle-Wittenberg, Von-Danckelmann-Platz 4, 06120, Halle (Saale), Germany.
Xu Y; Chemistry Department, University of Alberta, Edmonton, Alberta, T6G 2G2, Canada.
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Źródło :
Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2022 Jun 03; Vol. 23 (11), pp. e202200161. Date of Electronic Publication: 2022 Apr 25.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Methanol*
Molecular Dynamics Simulation*
Acetylcysteine/chemistry ; Optical Rotation ; Solvents/chemistry ; Spectrum Analysis, Raman ; Water/chemistry
Czasopismo naukowe
Tytuł :
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules.
Autorzy :
Gavezzotti A; Retired professor of Physical Chemistry (formerly at the Department of Chemistry), University of Milano, Milano, Italy.
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Źródło :
Acta crystallographica Section B, Structural science, crystal engineering and materials [Acta Crystallogr B Struct Sci Cryst Eng Mater] 2022 Jun 01; Vol. 78 (Pt 3 Pt 1), pp. 333-343. Date of Electronic Publication: 2022 Feb 18.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Dynamics Simulation*
Monte Carlo Method
Czasopismo naukowe
Tytuł :
Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches.
Autorzy :
Jain N; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Indore, Madhya Pradesh 453552, India. Electronic address: .
Sk MF; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Indore, Madhya Pradesh 453552, India.
Mishra A; Cellular and Molecular Neurobiology Unit, Indian Institute of Technology Jodhpur, Rajasthan, India.
Kar P; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Indore, Madhya Pradesh 453552, India.
Kumar A; Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Indore, Madhya Pradesh 453552, India. Electronic address: .
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Źródło :
Computational biology and chemistry [Comput Biol Chem] 2022 Jun; Vol. 98, pp. 107682. Date of Electronic Publication: 2022 Apr 06.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Dynamics Simulation*
Neisseria gonorrhoeae*/metabolism
Anti-Bacterial Agents/pharmacology ; Bacterial Proteins/chemistry ; Density Functional Theory ; Ligands ; Molecular Docking Simulation
Czasopismo naukowe
Tytuł :
Self-assembly and disassembly mechanisms of biomimetic peptides: Molecular dynamics simulation and experimental measurement.
Autorzy :
Zhang G; School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China; Shunde Graduate School of University of Science and Technology Beijing, Shunde, Guangdong Province 528399, China.
Yue K; School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China; Shunde Graduate School of University of Science and Technology Beijing, Shunde, Guangdong Province 528399, China. Electronic address: .
Wang A; School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Zhong W; School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China; Shunde Graduate School of University of Science and Technology Beijing, Shunde, Guangdong Province 528399, China.
Yang P; CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, National Center for Nanoscience and Technology (NCNST), Beijing 100190, China.
Wang L; CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, National Center for Nanoscience and Technology (NCNST), Beijing 100190, China.
Ye X; CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, National Center for Nanoscience and Technology (NCNST), Beijing 100190, China.
Sun X; School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China.
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Źródło :
International journal of biological macromolecules [Int J Biol Macromol] 2022 Jun 01; Vol. 209 (Pt A), pp. 785-793. Date of Electronic Publication: 2022 Apr 13.
Typ publikacji :
Journal Article
MeSH Terms :
Biomimetics*
Molecular Dynamics Simulation*
Drug Carriers/chemistry ; Hydrophobic and Hydrophilic Interactions ; Peptides/chemistry
Czasopismo naukowe
Tytuł :
Theoretical investigations on the effects of mutations in important residues of NS1B on its RNA-binding using molecular dynamics simulations.
Autorzy :
Xu D; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, 130023, China.
Zheng QC; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, 130023, China; Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun, 130023, China. Electronic address: .
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Źródło :
Computers in biology and medicine [Comput Biol Med] 2022 Jun; Vol. 145, pp. 105412. Date of Electronic Publication: 2022 Mar 17.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Molecular Dynamics Simulation*
Viral Nonstructural Proteins*/chemistry
Viral Nonstructural Proteins*/genetics
Binding Sites ; Mutation ; Protein Binding ; RNA, Double-Stranded
Czasopismo naukowe
Tytuł :
A nonlinear dynamic factor model of health and medical treatment.
Autorzy :
Peracchi F; University of Rome Tor Vergata, Roma, Lazio, Italy.; EIEF, Roma, Lazio, Italy.
Rossetti C; LUISS Guido Carli, Roma, Italy.; Deloitte Financial Advisory, Roma, Italy.
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Źródło :
Health economics [Health Econ] 2022 Jun; Vol. 31 (6), pp. 1046-1066. Date of Electronic Publication: 2022 Mar 20.
Typ publikacji :
Journal Article
MeSH Terms :
Nonlinear Dynamics*
Patient Compliance*
Aged ; Hospitalization ; Humans ; Italy ; Policy
Czasopismo naukowe
Tytuł :
Modelling the transport mechanism of organic molecules into cell membranes: The role of organic solvents.
Autorzy :
Casalegno M; Dipartimento di Chimica, Materiali, Ingegneria Chimica, 'Giulio Natta', Via Mancinelli 7, I-20131 Milano, Italy. Electronic address: .
Sello G; Dipartimento di Chimica, Universita' degli Studi di Milano, via Golgi 19, I-20133 Milano, Italy. Electronic address: .
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Źródło :
Computational biology and chemistry [Comput Biol Chem] 2022 Jun; Vol. 98, pp. 107663. Date of Electronic Publication: 2022 Mar 05.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Dynamics Simulation*
Cell Membrane ; Solvents/chemistry
Czasopismo naukowe
Tytuł :
Molecular dynamics simulations of adsorption behavior of DDAH, NaOL and mixed DDAH/NaOL surfactants on muscovite (001) surface in aqueous solution.
Autorzy :
Di Y; College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu, 610059, Sichuan, China; School of Science, Xichang University, Xichang, 615013, Sichuan, China.
Jiang A; College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu, 610059, Sichuan, China.
Huang H; School of Science, Xichang University, Xichang, 615013, Sichuan, China.
Luo Q; School of Science, Xichang University, Xichang, 615013, Sichuan, China.
Wei W; Key Laboratory of Advanced Technologies of Materials (Ministry of Education), School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu, 610031, Sichuan, China.
Wang R; School of New Energy and Materials, Southwest Petroleum University, Chengdu, 610500, Sichuan, China.
Chen S; College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu, 610059, Sichuan, China. Electronic address: .
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Źródło :
Journal of molecular graphics & modelling [J Mol Graph Model] 2022 Jun; Vol. 113, pp. 108161. Date of Electronic Publication: 2022 Mar 09.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Molecular Dynamics Simulation*
Surface-Active Agents*
Adsorption ; Aluminum Silicates ; Amines ; Water
Czasopismo naukowe
Tytuł :
Molecular dynamics investigation of non-ionic deep eutectic solvents.
Autorzy :
Panda DK; School of Chemical Sciences, National Institute of Science Education & Research-Bhubaneswar, An OCC of Homi Bhabha National Institute, P.O.Jatni, Khurda, Odisha, 752050, India.
Bhargava BL; School of Chemical Sciences, National Institute of Science Education & Research-Bhubaneswar, An OCC of Homi Bhabha National Institute, P.O.Jatni, Khurda, Odisha, 752050, India. Electronic address: .
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Źródło :
Journal of molecular graphics & modelling [J Mol Graph Model] 2022 Jun; Vol. 113, pp. 108152. Date of Electronic Publication: 2022 Feb 16.
Typ publikacji :
Journal Article
MeSH Terms :
Deep Eutectic Solvents*
Molecular Dynamics Simulation*
Hydrogen Bonding ; Solvents/chemistry
Czasopismo naukowe
Tytuł :
Interaction of indole-3-acetic acid with horseradish peroxidase as a potential anticancer agent: from docking to molecular dynamics simulation.
Autorzy :
Zarei M; Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.; Department of Pharmaceutical Biotechnology, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Rahbar MR; Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.; Department of Pharmaceutical Biotechnology, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Negahdaripour M; Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.; Department of Pharmaceutical Biotechnology, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
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Źródło :
Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022 Jun; Vol. 40 (9), pp. 4188-4196. Date of Electronic Publication: 2020 Dec 07.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Antineoplastic Agents*/pharmacology
Molecular Dynamics Simulation*
Antioxidants ; Horseradish Peroxidase/chemistry ; Horseradish Peroxidase/metabolism ; Indoleacetic Acids ; Molecular Docking Simulation ; Peroxidase ; Peroxidases/metabolism
Czasopismo naukowe
Tytuł :
Mitochondrial dynamics regulators: implications for therapeutic intervention in cancer.
Autorzy :
Kumar S; Division of Biology, Indian Institute of Science Education and Research (IISER) Tirupati, Karkambadi Road, Rami Reddy Nagar, Mangalam, Tirupati, Andhra Pradesh, 517507, India. .
Ashraf R; Division of Biology, Indian Institute of Science Education and Research (IISER) Tirupati, Karkambadi Road, Rami Reddy Nagar, Mangalam, Tirupati, Andhra Pradesh, 517507, India.
C K A; Division of Biology, Indian Institute of Science Education and Research (IISER) Tirupati, Karkambadi Road, Rami Reddy Nagar, Mangalam, Tirupati, Andhra Pradesh, 517507, India.
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Źródło :
Cell biology and toxicology [Cell Biol Toxicol] 2022 Jun; Vol. 38 (3), pp. 377-406. Date of Electronic Publication: 2021 Oct 18.
Typ publikacji :
Journal Article; Review; Research Support, Non-U.S. Gov't
MeSH Terms :
Mitochondrial Dynamics*
Neoplasms*/drug therapy
Neoplasms*/metabolism
Apoptosis ; Humans ; Mitochondria/metabolism ; Mitophagy
Czasopismo naukowe

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