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In silico analysis and molecular dynamics simulation of human superoxide dismutase 3 (SOD3) genetic variants.

• Authors : Pereira GRC; Department of Genetics and Molecular Biology, Federal University of the State of Rio de Janeiro (UNIRIO), Rio de Janeiro, Brazil.; Da Silva ANR

Subjects: Algorithms* ; Computer Simulation* ; Molecular Dynamics Simulation*

• Source: Journal of cellular biochemistry [J Cell Biochem] 2019 Mar; Vol. 120 (3), pp. 3583-3598. Date of Electronic Publication: 2018 Sep 11.Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8205768 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Exploring biomolecular dynamics and interactions using advanced sampling methods.

• Authors : Luitz M; Physik-Department T38, Technische Universität München, James Franck Str. 1, 85748 Garching, Germany.; Bomblies R

Subjects: Algorithms* ; Computer Simulation* ; Models, Molecular*

• Source: Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2015 Aug 19; Vol. 27 (32), pp. 323101. Date of Electronic Publication: 2015 Jul 21.Publisher: IOP Pub Country of Publication: England NLM ID: 101165248 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1361-648X

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An in silico algorithm for identifying stabilizing pockets in proteins: test case, the Y220C mutant of the p53 tumor suppressor protein.

• Authors : Bromley D; Division of Biomedical and Health Informatics, Department of Biomedical Informatics and Medical Education, University of Washington, Box SLU-BIME 358047, 850 Republican St, Building C, Seattle, WA 98109-4714, USA.; Bauer MR

Subjects: Algorithms* ; Computer Simulation* ; Mutation*

• Source: Protein engineering, design & selection : PEDS [Protein Eng Des Sel] 2016 Sep; Vol. 29 (9), pp. 377-90. Date of Electronic Publication: 2016 Aug 08.Publisher: Oxford University Press Country of Publication: England NLM ID: 101186484 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Probing the protein space for extending the detection of weak homology folds.

• Authors : Gullotto D; Advanced Computational Biostructural Research Collaboratory, I-95019 Zafferana Etnea, Italy. ; Nolassi MS

Subjects: Algorithms* ; Computer Simulation* ; Molecular Dynamics Simulation*

• Source: Journal of theoretical biology [J Theor Biol] 2013 Mar 07; Vol. 320, pp. 152-8. Date of Electronic Publication: 2012 Dec 19.Publisher: Elsevier Country of Publication: England NLM ID: 0376342 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1095-8541

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A Bayesian method for construction of Markov models to describe dynamics on various time-scales.

• Authors : Rains EK; Department of Chemistry, Stanford University, Stanford, California 94305, USA.; Andersen HC

Subjects: Algorithms* ; Artifacts* ; Bayes Theorem*

• Source: The Journal of chemical physics [J Chem Phys] 2010 Oct 14; Vol. 133 (14), pp. 144113.Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN:

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Instantaneous normal modes as an unforced reaction coordinate for protein conformational transitions.

• Authors : Peng C; Department of Computer Science and Engineering, Shanghai Jiao Tong University, Shanghai, China. ; Zhang L

Subjects: Adenylate Kinase*/Adenylate Kinase*/Adenylate Kinase*/chemistry ; Adenylate Kinase*/Adenylate Kinase*/Adenylate Kinase*/metabolism ; Algorithms*

• Source: Biophysical journal [Biophys J] 2010 May 19; Vol. 98 (10), pp. 2356-64.Publisher: Cell Press Country of Publication: United States NLM ID: 0370626 Publication Model: Print Cited Medium: Internet ISSN: 1542-0086

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A hierarchic collision detection algorithm for simple Brownian dynamics.

• Authors : Katsimitsoulia Z; Division of Mathematical Biology, MRC National Institute for Medical Research, The Ridgeway, Mill Hill, London NW7 1AA, UK.; Taylor WR

Subjects: Algorithms* ; Computer Simulation*; Models, Biological

• Source: Computational biology and chemistry [Comput Biol Chem] 2010 Apr; Vol. 34 (2), pp. 71-9. Date of Electronic Publication: 2010 Feb 04.Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X

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Anomalous segmental dynamics of supercooled polyrotaxane melts: A computer simulation study.

• Authors : Jia, Xiang-Meng; Zhou, Jiajia

Subjects: COMPUTER simulation; GLASS transition temperature; MOLECULAR dynamics

• Source: Journal of Chemical Physics; 12/28/2023, Vol. 159 Issue 24, p1-8, 8p

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Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning.

• Authors : Banerjee, Atreyee; Iscen, Aysenur; Kremer, Kurt

Subjects: GLASS transitions; GLASS transition temperature; ACRYLIC coatings

• Source: Journal of Chemical Physics; 8/21/2023, Vol. 159 Issue 7, p1-11, 11p

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Applied Science & Technology Full Text (H.W. Wilson)

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