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Academic Journal

Computational methods to examine conformational changes and ligand-binding properties: Examples in neurobiology.

  • Authors : Dämgen MA; Department of Biochemistry, University of Oxford, Oxford, United Kingdom.; Biggin PC

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

  • Source: Neuroscience letters [Neurosci Lett] 2019 May 01; Vol. 700, pp. 9-16. Date of Electronic Publication: 2018 Mar 05.Publisher: Elsevier Scientific Publishers Ireland Country of Publication: Ireland NLM ID: 7600130 Publication Model: Print-Electronic Cited Medium:

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Periodical

The computational protein designers.

Subjects: Computer Simulation* ; Drug Design*; Proteins/Proteins/Proteins/*chemical synthesis

  • Source: Nature [Nature] 2019 Jul; Vol. 571 (7766), pp. 585-587.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

Why Computed Protein Folding Landscapes Are Sensitive to the Water Model.

  • Authors : Anandakrishnan R; Department of Biomedical Sciences , Edward Via College of Osteopathic Medicine , Blacksburg , Virginia 24060 , United States.; Izadi S

Subjects: Computer Simulation* ; Protein Folding*; Proteins/Proteins/Proteins/*chemistry

  • Source: Journal of chemical theory and computation [J Chem Theory Comput] 2019 Jan 08; Vol. 15 (1), pp. 625-636. Date of Electronic Publication: 2018 Dec 20.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Identification of Protein-Excipient Interaction Hotspots Using Computational Approaches.

  • Authors : Barata TS; EPSRC Centre for Innovative Manufacturing in Emergent Macromolecular Therapies, University College London, Biochemical Engineering Department, Bernard Katz Building, Gordon Street, London WC1H 0AH, UK. .; UCL School of Pharmacy, Department of Pharmaceutics, 29-39 Brunswick Square, London WC1N 1AX, UK. .

Subjects: Computer Simulation* ; Models, Molecular*; Excipients/Excipients/Excipients/*chemistry

  • Source: International journal of molecular sciences [Int J Mol Sci] 2016 Jun 01; Vol. 17 (6). Date of Electronic Publication: 2016 Jun 01.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Current updates on computer aided protein modeling and designing.

  • Authors : Khan FI; School of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001, China.; Wei DQ

Subjects: Computer Simulation* ; Models, Molecular*; Computational Biology/Computational Biology/Computational Biology/*methods

  • Source: International journal of biological macromolecules [Int J Biol Macromol] 2016 Apr; Vol. 85, pp. 48-62. Date of Electronic Publication: 2015 Dec 28.Publisher: Elsevier Country of Publication: Netherlands NLM ID: 7909578 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Computational design of cyclic peptides for the customized oriented immobilization of globular proteins.

  • Authors : Soler MA; Department of Medical and Biological Sciences, University of Udine, Piazzale Kolbe, 4 - 33100 Udine, Italy. SISSA, Via Bonomea 265, I-34136 Trieste, Italy.; Rodriguez A

Subjects: Computer Simulation*; Chemistry Techniques, Analytical/Chemistry Techniques, Analytical/Chemistry Techniques, Analytical/*methods ; Peptides, Cyclic/Peptides, Cyclic/Peptides, Cyclic/*chemistry

  • Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2017 Jan 25; Vol. 19 (4), pp. 2740-2748.Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

Recent Advances in Computational Models for the Study of Protein-Peptide Interactions.

  • Authors : Kilburg D; Brooklyn College, Brooklyn, NY, United States; The Graduate Center of the City University of New York, New York, NY, United States.

Subjects: Computer Simulation*; Peptides/Peptides/Peptides/*chemistry ; Proteins/Proteins/Proteins/*chemistry

  • Source: Advances in protein chemistry and structural biology [Adv Protein Chem Struct Biol] 2016; Vol. 105, pp. 27-57. Date of Electronic Publication: 2016 Aug 03.Publisher: Elsevier Country of Publication: Netherlands NLM ID: 101497281 Publication Model: Print-Electronic Cited Medium: Print ISSN: 1876-1623

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Academic Journal

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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Academic Journal

Rapid simulation of protein motion: merging flexibility, rigidity and normal mode analyses.

  • Authors : Jimenez-Roldan JE; Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, UK. ; Freedman RB

Subjects: Computer Simulation* ; Molecular Dynamics Simulation*; Proteins/Proteins/Proteins/*chemistry

  • Source: Physical biology [Phys Biol] 2012 Feb; Vol. 9 (1), pp. 016008. Date of Electronic Publication: 2012 Feb 07.Publisher: Institute of Physics Pub Country of Publication: England NLM ID: 101197454 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Large-scale integrated super-computing platform for next generation virtual drug discovery.

  • Authors : Mitchell W; Experimental Therapeutics Centre, Agency for Science and Technology Research (A*STAR), 31 Biopolis Way, #03-01 Nanos, Biopolis, Singapore 138669, Singapore.; Matsumoto S

Subjects: Computer Simulation* ; Drug Discovery* ; Molecular Dynamics Simulation*

  • Source: Current opinion in chemical biology [Curr Opin Chem Biol] 2011 Aug; Vol. 15 (4), pp. 553-9. Date of Electronic Publication: 2011 Jun 30.Publisher: Elsevier Country of Publication: England NLM ID: 9811312 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0402

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