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VERSION:2.0
PRODID:IEEE vTools.Events//EN
CALSCALE:GREGORIAN
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TZID:Asia/Katmandu
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DTSTART:20380119T085907
TZOFFSETFROM:+0545
TZOFFSETTO:+0545
RRULE:FREQ=YEARLY;BYDAY=3TU;BYMONTH=1
TZNAME:+0545
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DTSTART:19860101T001500
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TZOFFSETTO:+0545
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BEGIN:VEVENT
DTSTAMP:20121216T081143Z
UID:EF73D96F-E5B6-11E7-833E-0050568D7F66
DTSTART;TZID=Asia/Katmandu:20121127T140000
DTEND;TZID=Asia/Katmandu:20121127T170000
DESCRIPTION:Calculated and experimental spectra for neutral ubiquinone in s
 olution are very different from the spectra associated with ubiquinone in 
 the QA binding in purple bacterial reaction centers. For this reason an ON
 IOM method was undertaken in which the pigment was treated using density f
 unctional theory based methods while the protein was treated using molecul
 ar mechanics. The ONIOM calculations not only modeled the experimental QA 
 FTIR difference spectra but also resolved the long standing issue of wheth
 er a very strong hydrogen bond exists between the bound ubiquinone and the
  imidazole nitrogen of a histidine residue (HisM219).\n\nCo-sponsored by: 
 ASCAL Campus\, Tribhuvan University\n\nSpeaker(s): Hari Prasad  lamichhane
 \, \n\nKathmandu\, Nepal\, Nepal
LOCATION:Kathmandu\, Nepal\, Nepal
ORGANIZER:bhadrapokharel@ioe.edu.np
SEQUENCE:0
SUMMARY:[Legacy Report] Vibrational Properties of Quinones in Photosyntheti
 c Reaction Centers
URL;VALUE=URI:https://events.vtools.ieee.org/m/80970
X-ALT-DESC:Description: <br />Calculated and experimental spectra for neutr
 al ubiquinone in solution\nare very different from the spectra associated 
 with ubiquinone in the\nQA binding in purple bacterial reaction centers. F
 or this reason an\nONIOM method was undertaken in which the pigment was tr
 eated using\ndensity functional theory based methods while the protein was
  treated\nusing molecular mechanics. The ONIOM calculations not only model
 ed the\nexperimental QA FTIR difference spectra but also resolved the long
 \nstanding issue of whether a very strong hydrogen bond exists between\nth
 e bound ubiquinone and the imidazole nitrogen of a histidine residue\n(His
 M219).\n
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