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  • 36.40  (1)
  • ASTRONOMY  (1)
  • Aeronautics (General)  (1)
  • Monte Carlo  (1)
  • Chaperone
  • Condensed Matter: Electronic Properties, etc.
  • 1990-1994  (4)
  • 1
    Electronic Resource
    Electronic Resource
    The hydration shell of myoglobin (1992)
    Springer
    European biophysics journal 21 (1992), S. 313-320 
    Details
    ISSN: 1432-1017
    Keywords: Monte Carlo ; Crystal water ; Structure refinement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The space in the unit cell of a metmyoglobin crystal not occupied by myoglobin atoms was filled with water using Monte Carlo calculations. Independent calculations with different amounts of water have been performed. Structure factors were calculated using the water coordinates thus obtained and the known coordinates of the myoglobin atoms. A comparison with experimental structure factors showed that both the low and the high resolution regime could be well reproduced with 814 Monte Carlo water molecules per unit cell with a B-value of 50 Å2. The Monte Carlo water molecules yield a smaller standard R-value (0.166) than using a homogeneous electron density for the simulation of the crystal water (R = 0.212). A reciprocal space refinement of the water and the protein coordinates has been performed. Monte Carlo calculations can be used to obtain information for crystallographically invisible parts of the unit cell and yield better coordinates for the visible part in the refinement.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00188343
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Intermolecular vibronic spectroscopy of small Van Der Waals clusters: phenol- and aniline-(argon)2 complexes (1990)
    Springer
    The European physical journal 17 (1990), S. 153-155 
    Details
    ISSN: 1434-6079
    Keywords: 36.40
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We report the clear observation and assignment of the symmetric stretching and bending van der Waals modes in two three-bodyC 2v complexes, phenol- and aniline-(Ar)2, using resonant two-photon ionization.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01437671
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    Paper (German National Licenses)
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  • 3
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    Unknown
    A deep x ray survey in the Lockman hole and the soft x ray log N - log S (1992)
    In:  CASI
    Details
    Publication Date: 2019-06-28
    Description: The longest pointed observation (152 ksec) with the Rosat position sensitive proportional counter in the direction of the absolutely lowest neutral hydrogen column density is discussed. 26 shallower fields from the Rosat medium sensivity survey are analyzed. 1176 X-ray sources were detected in at least one Rosat energy band in these fields covering a total solid angle of 9.3 deg; 661 of these sources constitute a statistically complete sample detected in the hard band with 0.5 to 2 keV fluxes greater than 2.5 times 10 to the power of minus 15 erg/sq cm s. The faintest limiting flux of the survey is analyzed. Detailed simulations show that confusion effects and other selection biases are relatively small and can be corrected for in the sample. From an analysis in the Lockman field, a best fit slope of approximately 1.8 is found for the extrapolation of the differential X-ray counts below 2.5 times 10 to the power of minus 15 erg/sq cm s. On the basis of this analysis an upper limit of approximately 25% can be found for a truly diffuse background component in the Rosat hard band.
    Keywords: ASTRONOMY
    Type: NASA-CR-194698 , NAS 1.26:194698 , MPE-PREPRINT-238
    Format: text
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    NASA TECHNICAL REPORTS
  • 4
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    Tuning CAS Application using AIMS: An Automated Instrumentation and Monitoring System (1994)
    In:  Other Sources
    Details
    Publication Date: 2019-08-13
    Description: To bring together NASA's scientists and engineers and their counterparts in industry, other government agencies, and academia working in the Computational AeroSciences (CAS) field. This workshop is part of the technology transfer plan of the High Performance Computing and Communications Program (HPCCP). Specific objectives of this Workshop are to: (1) communicate the goals and objectives of HPCCP in the area of CAS; (2) promote and disseminate CAS technology within the appropriate technical communities, including NASA, industry, academia, and other government labs; (3) help promote synergy among CAS scientists; and (4) permit feedback from peer researchers in issues pacing the CAS field in general and the HPCCP CAS program in particular.
    Keywords: Aeronautics (General)
    Type: NASA Computational Aerosciences Workshop; Mar 07, 1995 - Mar 09, 1995; Moffett Field, CA; United States
    Format: text
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    NASA TECHNICAL REPORTS
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